REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1c1d_1_A DATA FIRST_RESID 1 DATA SEQUENCE SIDSALNWDG EMTVTRFDAM TGAHFVIRLD STQLGPAAGG TRAAQYSNLA DATA SEQUENCE DALTDAGKLA GAMTLKMAVS NLPMGGGKSV IALPAPRHSI DPSTWARILR DATA SEQUENCE IHAENIDKLS GNYWTGPDVN TNSADMDTLN DTTEFVFGRS LERGGAGSSA DATA SEQUENCE FTTAVGVFEA MKATVAHRGL GSLDGLTVLV QGLGAVGGSL ASLAAEAGAQ DATA SEQUENCE LLVADTDTER VAHAVALGHT AVALEDVLST PCDVFAPCAM GGVITTEVAR DATA SEQUENCE TLDCSVVAGA ANNVIADEAA SDILHARGIL YAPDFVANAG GAIHLVGREV DATA SEQUENCE LGWSESVVHE RAVAIGDTLN QVFEISDNDG VTPDEAARTL AGRRAREAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.578 174.600 -0.036 0.000 1.055 1 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 1 S CB 0.000 63.188 63.200 -0.019 0.000 0.593 2 I N 1.423 121.967 120.570 -0.043 0.000 2.226 2 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 2 I C 1.926 178.026 176.117 -0.029 0.000 1.100 2 I CA 1.705 62.975 61.300 -0.049 0.000 1.374 2 I CB -1.427 36.540 38.000 -0.055 0.000 1.057 2 I HN 0.726 nan 8.210 nan 0.000 0.413 3 D N 0.859 121.248 120.400 -0.018 0.000 2.104 3 D HA -0.140 4.500 4.640 -0.000 0.000 0.194 3 D C 2.402 178.706 176.300 0.006 0.000 0.994 3 D CA 1.473 55.471 54.000 -0.004 0.000 0.830 3 D CB -0.083 40.715 40.800 -0.002 0.000 0.959 3 D HN 0.175 nan 8.370 nan 0.000 0.452 4 S N 0.189 115.891 115.700 0.003 0.000 2.368 4 S HA -0.102 4.368 4.470 -0.000 0.000 0.224 4 S C 2.091 176.704 174.600 0.021 0.000 1.029 4 S CA 1.022 59.230 58.200 0.014 0.000 0.988 4 S CB -0.267 62.939 63.200 0.009 0.000 0.838 4 S HN 0.375 nan 8.310 nan 0.000 0.462 5 A N 1.436 124.253 122.820 -0.006 0.000 1.972 5 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 5 A C 1.961 179.549 177.584 0.007 0.000 1.169 5 A CA 1.025 53.045 52.037 -0.028 0.000 0.635 5 A CB -0.648 18.305 19.000 -0.079 0.000 0.810 5 A HN 0.475 nan 8.150 nan 0.000 0.446 6 L N -0.190 121.046 121.223 0.022 0.000 2.478 6 L HA -0.008 4.332 4.340 -0.000 0.000 0.223 6 L C 0.984 177.919 176.870 0.108 0.000 1.140 6 L CA 0.185 55.061 54.840 0.060 0.000 0.842 6 L CB -0.370 41.708 42.059 0.032 0.000 0.953 6 L HN 0.382 nan 8.230 nan 0.000 0.452 7 N N 0.201 118.962 118.700 0.102 0.000 3.034 7 N HA 0.010 4.750 4.740 -0.000 0.000 0.265 7 N C -1.484 174.138 175.510 0.187 0.000 1.166 7 N CA -0.192 52.921 53.050 0.105 0.000 1.081 7 N CB 0.299 38.825 38.487 0.066 0.000 1.378 7 N HN 0.105 nan 8.380 nan 0.000 0.520 8 W N 3.050 124.341 121.300 -0.016 0.000 2.819 8 W HA 0.297 4.957 4.660 0.001 0.000 0.337 8 W C 0.186 176.696 176.519 -0.016 0.000 1.077 8 W CA -0.966 56.369 57.345 -0.016 0.000 1.226 8 W CB 1.002 30.449 29.460 -0.020 0.000 1.419 8 W HN 0.261 nan 8.180 nan 0.000 0.502 9 D N 1.858 121.917 120.400 -0.568 0.000 2.328 9 D HA 0.185 4.825 4.640 -0.000 0.000 0.221 9 D C 0.868 176.662 176.300 -0.844 0.000 1.072 9 D CA -0.118 53.555 54.000 -0.545 0.000 0.850 9 D CB -0.362 40.237 40.800 -0.335 0.000 0.922 9 D HN 0.382 nan 8.370 nan 0.000 0.516 10 G N 0.306 108.038 108.800 -1.781 0.000 2.653 10 G HA2 0.059 4.019 3.960 -0.000 0.000 0.265 10 G HA3 0.059 4.019 3.960 -0.000 0.000 0.265 10 G C 0.588 175.124 174.900 -0.607 0.000 1.237 10 G CA -0.497 43.672 45.100 -1.552 0.000 0.946 10 G HN 0.076 nan 8.290 nan 0.000 0.522 11 E N -1.231 118.791 120.200 -0.297 0.000 2.152 11 E HA 0.050 4.400 4.350 -0.000 0.000 0.192 11 E C 0.807 177.408 176.600 0.001 0.000 0.983 11 E CA 0.712 57.050 56.400 -0.103 0.000 0.818 11 E CB 0.135 29.806 29.700 -0.048 0.000 0.758 11 E HN 0.394 nan 8.360 nan 0.000 0.467 12 M N -0.396 119.276 119.600 0.118 0.000 2.523 12 M HA 0.153 4.633 4.480 -0.000 0.000 0.287 12 M C -1.867 174.573 176.300 0.234 0.000 1.160 12 M CA -0.169 55.216 55.300 0.142 0.000 0.902 12 M CB 2.484 35.123 32.600 0.065 0.000 1.752 12 M HN -0.271 nan 8.290 nan 0.000 0.504 13 T N 2.941 117.592 114.554 0.161 0.000 2.812 13 T HA 0.671 5.020 4.350 -0.000 0.000 0.282 13 T C -1.263 173.452 174.700 0.025 0.000 0.990 13 T CA -0.491 61.657 62.100 0.080 0.000 0.960 13 T CB 1.719 70.627 68.868 0.068 0.000 0.948 13 T HN 0.431 nan 8.240 nan 0.000 0.438 14 V N 4.236 124.143 119.914 -0.011 0.000 2.495 14 V HA 0.759 4.879 4.120 -0.000 0.000 0.298 14 V C 0.248 176.351 176.094 0.016 0.000 1.031 14 V CA -0.630 61.669 62.300 -0.002 0.000 0.871 14 V CB 1.879 33.690 31.823 -0.021 0.000 0.988 14 V HN 1.129 nan 8.190 nan 0.000 0.432 15 T N 2.766 117.346 114.554 0.044 0.000 2.906 15 T HA 0.862 5.212 4.350 -0.000 0.000 0.295 15 T C -0.746 174.029 174.700 0.126 0.000 1.075 15 T CA -0.958 61.200 62.100 0.096 0.000 1.005 15 T CB 2.631 71.551 68.868 0.087 0.000 1.136 15 T HN 0.712 nan 8.240 nan 0.000 0.498 16 R N 0.613 121.247 120.500 0.223 0.000 2.629 16 R HA 0.603 4.943 4.340 -0.000 0.000 0.266 16 R C -2.219 174.308 176.300 0.377 0.000 1.051 16 R CA -0.949 55.273 56.100 0.204 0.000 0.895 16 R CB 2.027 32.338 30.300 0.017 0.000 1.246 16 R HN 0.779 nan 8.270 nan 0.000 0.459 17 F N 2.496 122.493 119.950 0.078 0.000 2.529 17 F HA 0.379 4.906 4.527 -0.001 0.000 0.320 17 F C -1.199 174.591 175.800 -0.016 0.000 1.118 17 F CA -0.650 57.305 58.000 -0.075 0.000 0.915 17 F CB 1.830 40.724 39.000 -0.176 0.000 1.161 17 F HN 0.566 nan 8.300 nan 0.000 0.445 18 D N 5.000 124.981 120.400 -0.698 0.000 2.460 18 D HA 0.429 5.069 4.640 -0.000 0.000 0.232 18 D C 0.657 176.355 176.300 -1.003 0.000 1.079 18 D CA 0.020 53.670 54.000 -0.584 0.000 0.864 18 D CB 1.760 42.489 40.800 -0.118 0.000 1.048 18 D HN 0.667 nan 8.370 nan 0.000 0.523 19 A N 4.450 126.673 122.820 -0.994 0.000 1.908 19 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 19 A C 2.080 179.490 177.584 -0.289 0.000 1.181 19 A CA 1.419 53.072 52.037 -0.641 0.000 0.627 19 A CB -0.584 18.293 19.000 -0.205 0.000 0.818 19 A HN 0.737 nan 8.150 nan 0.000 0.445 20 M N 0.127 119.599 119.600 -0.213 0.000 2.108 20 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 20 M C 2.128 178.377 176.300 -0.085 0.000 1.066 20 M CA 2.432 57.666 55.300 -0.111 0.000 1.107 20 M CB -0.261 32.291 32.600 -0.080 0.000 1.356 20 M HN 0.613 nan 8.290 nan 0.000 0.406 21 T N -3.910 110.582 114.554 -0.103 0.000 3.057 21 T HA 0.322 4.672 4.350 -0.000 0.000 0.254 21 T C 1.425 176.097 174.700 -0.047 0.000 1.094 21 T CA 0.657 62.729 62.100 -0.046 0.000 1.088 21 T CB 0.124 68.987 68.868 -0.007 0.000 0.934 21 T HN 0.673 nan 8.240 nan 0.000 0.497 22 G N 1.450 110.173 108.800 -0.129 0.000 2.159 22 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.256 22 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.256 22 G C 0.264 175.188 174.900 0.040 0.000 0.977 22 G CA -0.016 45.079 45.100 -0.009 0.000 0.652 22 G HN 1.182 nan 8.290 nan 0.000 0.531 23 A N 0.457 123.219 122.820 -0.097 0.000 2.340 23 A HA 0.693 5.013 4.320 -0.000 0.000 0.268 23 A C 0.219 177.674 177.584 -0.214 0.000 1.100 23 A CA -0.296 51.647 52.037 -0.157 0.000 0.803 23 A CB 0.416 19.214 19.000 -0.338 0.000 1.043 23 A HN 0.457 nan 8.150 nan 0.000 0.488 24 H N 0.150 119.137 119.070 -0.139 0.000 2.499 24 H HA 0.548 5.104 4.556 -0.000 0.000 0.340 24 H C -1.511 173.607 175.328 -0.351 0.000 1.148 24 H CA 0.101 56.152 56.048 0.006 0.000 1.215 24 H CB 1.479 31.271 29.762 0.051 0.000 1.529 24 H HN 0.544 nan 8.280 nan 0.000 0.510 25 F N 0.871 120.899 119.950 0.129 0.000 2.540 25 F HA 0.395 4.922 4.527 -0.000 0.000 0.317 25 F C -0.228 175.577 175.800 0.007 0.000 1.104 25 F CA -0.764 57.254 58.000 0.029 0.000 0.913 25 F CB 1.813 40.827 39.000 0.024 0.000 1.170 25 F HN 0.080 nan 8.300 nan 0.000 0.450 26 V N 4.480 124.451 119.914 0.095 0.000 2.686 26 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 26 V C -0.540 175.536 176.094 -0.029 0.000 1.065 26 V CA -0.768 61.530 62.300 -0.004 0.000 0.894 26 V CB 2.297 34.044 31.823 -0.127 0.000 1.004 26 V HN 0.577 nan 8.190 nan 0.000 0.424 27 I N 4.421 124.951 120.570 -0.066 0.000 2.447 27 I HA 0.571 4.741 4.170 -0.000 0.000 0.287 27 I C -0.225 175.779 176.117 -0.189 0.000 1.023 27 I CA -0.541 60.658 61.300 -0.170 0.000 1.083 27 I CB 1.999 39.851 38.000 -0.247 0.000 1.245 27 I HN 0.437 nan 8.210 nan 0.000 0.434 28 R N 6.414 126.788 120.500 -0.211 0.000 2.437 28 R HA 0.653 4.993 4.340 -0.000 0.000 0.310 28 R C -1.236 175.079 176.300 0.024 0.000 0.955 28 R CA -0.800 55.224 56.100 -0.127 0.000 0.851 28 R CB 2.073 32.131 30.300 -0.403 0.000 1.161 28 R HN 0.524 nan 8.270 nan 0.000 0.446 29 L N 3.198 124.528 121.223 0.179 0.000 2.277 29 L HA 0.199 4.539 4.340 -0.000 0.000 0.284 29 L C 0.652 177.693 176.870 0.285 0.000 1.028 29 L CA -0.297 54.645 54.840 0.170 0.000 0.835 29 L CB 1.450 43.565 42.059 0.093 0.000 1.215 29 L HN 0.701 nan 8.230 nan 0.000 0.425 30 D N 1.381 121.953 120.400 0.287 0.000 2.103 30 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 30 D C 0.622 176.912 176.300 -0.016 0.000 0.978 30 D CA 0.888 54.977 54.000 0.149 0.000 0.829 30 D CB 0.598 41.516 40.800 0.196 0.000 0.981 30 D HN 0.397 nan 8.370 nan 0.000 0.464 31 S N -2.497 113.224 115.700 0.036 0.000 2.537 31 S HA 0.425 4.894 4.470 -0.000 0.000 0.271 31 S C -0.326 174.298 174.600 0.039 0.000 1.148 31 S CA -0.269 57.933 58.200 0.004 0.000 0.868 31 S CB 1.445 64.638 63.200 -0.012 0.000 1.115 31 S HN 0.157 nan 8.310 nan 0.000 0.461 32 T N 0.858 115.427 114.554 0.024 0.000 3.288 32 T HA 0.251 4.601 4.350 -0.000 0.000 0.293 32 T C 1.122 175.833 174.700 0.019 0.000 1.008 32 T CA -0.156 61.966 62.100 0.038 0.000 0.929 32 T CB 0.319 69.212 68.868 0.041 0.000 1.152 32 T HN 0.583 nan 8.240 nan 0.000 0.517 33 Q N 0.987 120.791 119.800 0.006 0.000 2.084 33 Q HA 0.044 4.384 4.340 -0.000 0.000 0.202 33 Q C 1.682 177.683 176.000 0.002 0.000 0.978 33 Q CA 1.303 57.105 55.803 -0.002 0.000 0.844 33 Q CB -0.185 28.546 28.738 -0.013 0.000 0.898 33 Q HN 0.632 nan 8.270 nan 0.000 0.426 34 L N -0.617 120.609 121.223 0.006 0.000 2.509 34 L HA 0.267 4.607 4.340 -0.000 0.000 0.222 34 L C 0.978 177.851 176.870 0.004 0.000 1.123 34 L CA 0.368 55.210 54.840 0.003 0.000 0.856 34 L CB 0.448 42.509 42.059 0.003 0.000 0.985 34 L HN 0.327 nan 8.230 nan 0.000 0.456 35 G N -1.146 107.664 108.800 0.016 0.000 2.327 35 G HA2 0.152 4.112 3.960 -0.000 0.000 0.291 35 G HA3 0.152 4.112 3.960 -0.000 0.000 0.291 35 G C -3.127 171.802 174.900 0.048 0.000 1.290 35 G CA -0.918 44.192 45.100 0.017 0.000 0.857 35 G HN -0.352 nan 8.290 nan 0.000 0.520 36 P HA 0.426 nan 4.420 nan 0.000 0.267 36 P C 0.220 177.621 177.300 0.169 0.000 1.200 36 P CA 0.466 63.647 63.100 0.134 0.000 0.772 36 P CB 0.675 32.510 31.700 0.226 0.000 0.855 37 A N 2.046 124.996 122.820 0.217 0.000 2.425 37 A HA 0.529 4.848 4.320 -0.000 0.000 0.249 37 A C 0.151 177.950 177.584 0.358 0.000 1.084 37 A CA 0.324 52.525 52.037 0.274 0.000 0.781 37 A CB -0.422 18.761 19.000 0.306 0.000 1.019 37 A HN 0.580 nan 8.150 nan 0.000 0.490 38 A N 1.220 124.234 122.820 0.324 0.000 2.449 38 A HA 0.932 5.252 4.320 -0.000 0.000 0.302 38 A C -0.061 177.736 177.584 0.354 0.000 1.048 38 A CA 0.035 52.262 52.037 0.317 0.000 0.708 38 A CB 1.669 20.884 19.000 0.357 0.000 1.274 38 A HN 2.501 nan 8.150 nan 0.000 0.410 39 G N -0.323 108.702 108.800 0.375 0.000 2.377 39 G HA2 0.609 4.569 3.960 -0.000 0.000 0.297 39 G HA3 0.609 4.569 3.960 -0.000 0.000 0.297 39 G C -0.167 174.956 174.900 0.370 0.000 1.547 39 G CA 0.193 45.511 45.100 0.363 0.000 0.833 39 G HN 1.418 nan 8.290 nan 0.000 0.583 40 G N -0.856 108.121 108.800 0.296 0.000 2.621 40 G HA2 0.542 4.502 3.960 -0.000 0.000 0.271 40 G HA3 0.542 4.502 3.960 -0.000 0.000 0.271 40 G C -0.236 174.844 174.900 0.300 0.000 1.236 40 G CA -0.033 45.236 45.100 0.282 0.000 0.958 40 G HN 0.757 nan 8.290 nan 0.000 0.512 41 T N 0.128 114.848 114.554 0.277 0.000 2.758 41 T HA 0.447 4.797 4.350 -0.000 0.000 0.285 41 T C 0.156 174.967 174.700 0.185 0.000 0.981 41 T CA -0.333 61.913 62.100 0.245 0.000 0.965 41 T CB 1.071 70.117 68.868 0.298 0.000 0.927 41 T HN 0.538 nan 8.240 nan 0.000 0.448 42 R N 2.202 122.790 120.500 0.147 0.000 2.407 42 R HA 0.737 5.077 4.340 -0.000 0.000 0.303 42 R C -1.096 175.293 176.300 0.149 0.000 0.981 42 R CA -0.605 55.584 56.100 0.149 0.000 0.905 42 R CB 0.793 31.183 30.300 0.151 0.000 1.099 42 R HN 0.671 nan 8.270 nan 0.000 0.459 43 A N 2.936 125.856 122.820 0.167 0.000 2.319 43 A HA 0.819 5.139 4.320 -0.000 0.000 0.310 43 A C -1.275 176.381 177.584 0.119 0.000 1.152 43 A CA -0.236 51.908 52.037 0.179 0.000 0.783 43 A CB 1.570 20.756 19.000 0.310 0.000 1.184 43 A HN 0.946 nan 8.150 nan 0.000 0.474 44 A N 2.037 124.934 122.820 0.128 0.000 2.564 44 A HA 0.706 5.026 4.320 -0.000 0.000 0.291 44 A C -1.087 176.468 177.584 -0.049 0.000 1.102 44 A CA -0.616 51.404 52.037 -0.029 0.000 0.660 44 A CB 0.740 19.631 19.000 -0.181 0.000 1.283 44 A HN 0.767 nan 8.150 nan 0.000 0.430 45 Q N -0.139 119.561 119.800 -0.166 0.000 2.261 45 Q HA 0.559 4.898 4.340 -0.000 0.000 0.252 45 Q C -1.681 174.131 176.000 -0.312 0.000 0.915 45 Q CA 0.138 55.880 55.803 -0.102 0.000 0.915 45 Q CB 1.256 29.951 28.738 -0.072 0.000 1.204 45 Q HN 0.600 nan 8.270 nan 0.000 0.421 46 Y N -0.596 119.693 120.300 -0.018 0.000 2.524 46 Y HA 0.160 4.710 4.550 -0.000 0.000 0.344 46 Y C 0.972 176.855 175.900 -0.029 0.000 1.012 46 Y CA -0.548 57.535 58.100 -0.028 0.000 1.068 46 Y CB 2.114 40.546 38.460 -0.046 0.000 1.249 46 Y HN 0.638 nan 8.280 nan 0.000 0.468 47 S N 0.337 116.099 115.700 0.104 0.000 2.387 47 S HA -0.013 4.457 4.470 -0.000 0.000 0.226 47 S C 0.165 174.787 174.600 0.037 0.000 1.026 47 S CA 0.751 58.980 58.200 0.048 0.000 0.972 47 S CB -0.161 63.053 63.200 0.024 0.000 0.814 47 S HN 0.636 nan 8.310 nan 0.000 0.477 48 N N -0.354 118.370 118.700 0.040 0.000 2.357 48 N HA 0.284 5.023 4.740 -0.000 0.000 0.284 48 N C -0.067 175.400 175.510 -0.072 0.000 1.236 48 N CA -0.525 52.508 53.050 -0.027 0.000 0.774 48 N CB 1.724 40.189 38.487 -0.038 0.000 1.534 48 N HN -0.068 nan 8.380 nan 0.000 0.478 49 L N 2.502 123.619 121.223 -0.176 0.000 2.079 49 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 49 L C 2.150 178.884 176.870 -0.228 0.000 1.081 49 L CA 1.965 56.637 54.840 -0.280 0.000 0.752 49 L CB -0.718 41.078 42.059 -0.437 0.000 0.896 49 L HN 0.777 nan 8.230 nan 0.000 0.433 50 A N -0.800 121.924 122.820 -0.160 0.000 1.978 50 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 50 A C 1.965 179.467 177.584 -0.136 0.000 1.170 50 A CA 1.956 53.913 52.037 -0.133 0.000 0.636 50 A CB -0.775 18.174 19.000 -0.086 0.000 0.810 50 A HN 0.565 nan 8.150 nan 0.000 0.448 51 D N -0.004 120.337 120.400 -0.099 0.000 2.144 51 D HA -0.015 4.625 4.640 -0.000 0.000 0.200 51 D C 2.198 178.365 176.300 -0.221 0.000 0.978 51 D CA 1.396 55.371 54.000 -0.043 0.000 0.833 51 D CB -0.393 40.493 40.800 0.144 0.000 0.961 51 D HN 0.453 nan 8.370 nan 0.000 0.470 52 A N 0.648 123.156 122.820 -0.521 0.000 1.930 52 A HA -0.073 4.247 4.320 -0.000 0.000 0.217 52 A C 2.369 179.648 177.584 -0.510 0.000 1.175 52 A CA 0.677 52.133 52.037 -0.968 0.000 0.627 52 A CB -0.679 17.730 19.000 -0.987 0.000 0.815 52 A HN 0.164 nan 8.150 nan 0.000 0.443 53 L N -0.820 120.187 121.223 -0.359 0.000 2.017 53 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 53 L C 2.825 179.489 176.870 -0.343 0.000 1.073 53 L CA 1.844 56.490 54.840 -0.322 0.000 0.745 53 L CB -0.726 41.183 42.059 -0.251 0.000 0.894 53 L HN 0.334 nan 8.230 nan 0.000 0.432 54 T N -1.332 113.072 114.554 -0.250 0.000 2.746 54 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 54 T C 1.516 176.113 174.700 -0.172 0.000 1.039 54 T CA 1.595 63.575 62.100 -0.199 0.000 1.142 54 T CB -0.226 68.583 68.868 -0.098 0.000 0.866 54 T HN 0.295 nan 8.240 nan 0.000 0.444 55 D N 1.080 121.401 120.400 -0.132 0.000 2.117 55 D HA -0.016 4.624 4.640 -0.000 0.000 0.197 55 D C 2.271 178.507 176.300 -0.106 0.000 0.987 55 D CA 1.228 55.198 54.000 -0.051 0.000 0.829 55 D CB -0.382 40.453 40.800 0.058 0.000 0.961 55 D HN 0.336 nan 8.370 nan 0.000 0.460 56 A N 0.072 122.767 122.820 -0.207 0.000 1.940 56 A HA -0.036 4.284 4.320 -0.000 0.000 0.219 56 A C 2.363 179.779 177.584 -0.279 0.000 1.176 56 A CA 2.167 54.074 52.037 -0.217 0.000 0.631 56 A CB -1.188 17.645 19.000 -0.279 0.000 0.814 56 A HN 0.358 nan 8.150 nan 0.000 0.446 57 G N -0.401 108.112 108.800 -0.478 0.000 2.402 57 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.216 57 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.216 57 G C 1.677 176.546 174.900 -0.053 0.000 1.162 57 G CA 1.046 45.769 45.100 -0.627 0.000 0.777 57 G HN 0.592 nan 8.290 nan 0.000 0.539 58 K N -0.144 120.236 120.400 -0.033 0.000 2.103 58 K HA 0.154 4.474 4.320 -0.000 0.000 0.204 58 K C 2.458 179.108 176.600 0.084 0.000 1.052 58 K CA 0.453 56.782 56.287 0.071 0.000 0.945 58 K CB -0.215 32.320 32.500 0.059 0.000 0.722 58 K HN 0.241 nan 8.250 nan 0.000 0.443 59 L N 0.636 121.892 121.223 0.054 0.000 2.056 59 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 59 L C 2.584 179.516 176.870 0.104 0.000 1.078 59 L CA 1.124 56.013 54.840 0.082 0.000 0.749 59 L CB -0.524 41.579 42.059 0.074 0.000 0.901 59 L HN 0.188 nan 8.230 nan 0.000 0.433 60 A N 0.220 123.100 122.820 0.101 0.000 1.902 60 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 60 A C 2.407 180.093 177.584 0.169 0.000 1.181 60 A CA 1.679 53.809 52.037 0.155 0.000 0.623 60 A CB -1.270 17.844 19.000 0.191 0.000 0.818 60 A HN 0.434 nan 8.150 nan 0.000 0.443 61 G N -0.539 108.375 108.800 0.189 0.000 2.422 61 G HA2 0.015 3.975 3.960 -0.000 0.000 0.218 61 G HA3 0.015 3.975 3.960 -0.000 0.000 0.218 61 G C 1.711 176.616 174.900 0.008 0.000 1.146 61 G CA 1.393 46.561 45.100 0.112 0.000 0.769 61 G HN 0.779 nan 8.290 nan 0.000 0.547 62 A N 0.607 123.452 122.820 0.041 0.000 1.902 62 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 62 A C 2.422 180.029 177.584 0.037 0.000 1.181 62 A CA 1.901 53.954 52.037 0.026 0.000 0.623 62 A CB -0.325 18.750 19.000 0.125 0.000 0.818 62 A HN 0.287 nan 8.150 nan 0.000 0.443 63 M N -0.306 119.346 119.600 0.085 0.000 2.159 63 M HA -0.103 4.377 4.480 -0.000 0.000 0.263 63 M C 2.175 178.512 176.300 0.062 0.000 1.063 63 M CA 1.952 57.313 55.300 0.102 0.000 1.110 63 M CB -2.014 30.674 32.600 0.147 0.000 1.374 63 M HN 0.438 nan 8.290 nan 0.000 0.411 64 T N 1.494 116.068 114.554 0.032 0.000 2.684 64 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 64 T C 2.044 176.709 174.700 -0.057 0.000 1.036 64 T CA 1.193 63.293 62.100 -0.000 0.000 1.148 64 T CB -0.287 68.572 68.868 -0.016 0.000 0.863 64 T HN 0.312 nan 8.240 nan 0.000 0.436 65 L N 0.496 121.615 121.223 -0.173 0.000 2.072 65 L HA -0.025 4.314 4.340 -0.000 0.000 0.205 65 L C 2.683 179.516 176.870 -0.063 0.000 1.079 65 L CA 1.211 55.855 54.840 -0.327 0.000 0.752 65 L CB -0.435 40.982 42.059 -1.070 0.000 0.906 65 L HN 0.202 nan 8.230 nan 0.000 0.436 66 K N -0.018 120.420 120.400 0.064 0.000 2.032 66 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 66 K C 2.263 178.935 176.600 0.120 0.000 1.048 66 K CA 1.434 57.843 56.287 0.204 0.000 0.927 66 K CB 0.058 32.664 32.500 0.177 0.000 0.712 66 K HN 0.123 nan 8.250 nan 0.000 0.441 67 M N 0.505 120.148 119.600 0.071 0.000 2.067 67 M HA -0.108 4.371 4.480 -0.000 0.000 0.260 67 M C 2.493 178.818 176.300 0.042 0.000 1.069 67 M CA 1.712 57.040 55.300 0.048 0.000 1.117 67 M CB -1.216 31.406 32.600 0.036 0.000 1.334 67 M HN 0.291 nan 8.290 nan 0.000 0.407 68 A N -0.172 122.667 122.820 0.032 0.000 1.865 68 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 68 A C 2.433 180.046 177.584 0.048 0.000 1.191 68 A CA 2.093 54.146 52.037 0.026 0.000 0.623 68 A CB -1.232 17.770 19.000 0.002 0.000 0.826 68 A HN 0.305 nan 8.150 nan 0.000 0.444 69 V N 0.134 120.099 119.914 0.086 0.000 2.759 69 V HA -0.105 4.014 4.120 -0.000 0.000 0.256 69 V C 1.875 178.007 176.094 0.062 0.000 1.080 69 V CA 2.234 64.591 62.300 0.096 0.000 1.101 69 V CB -0.225 31.715 31.823 0.195 0.000 0.698 69 V HN 0.531 nan 8.190 nan 0.000 0.477 70 S N 0.217 115.959 115.700 0.070 0.000 2.577 70 S HA 0.183 4.653 4.470 -0.000 0.000 0.219 70 S C 0.577 175.225 174.600 0.080 0.000 0.962 70 S CA 0.256 58.495 58.200 0.065 0.000 0.921 70 S CB -0.403 62.841 63.200 0.073 0.000 0.789 70 S HN 0.818 nan 8.310 nan 0.000 0.497 71 N N 0.979 119.716 118.700 0.063 0.000 2.735 71 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 71 N C -1.153 174.400 175.510 0.072 0.000 1.083 71 N CA 0.176 53.267 53.050 0.068 0.000 0.703 71 N CB -1.293 37.242 38.487 0.080 0.000 1.005 71 N HN 0.395 nan 8.380 nan 0.000 0.550 72 L N 0.659 121.902 121.223 0.034 0.000 2.295 72 L HA 0.443 4.783 4.340 -0.000 0.000 0.285 72 L C -1.656 175.192 176.870 -0.036 0.000 1.035 72 L CA -1.795 53.028 54.840 -0.028 0.000 0.806 72 L CB 1.087 43.113 42.059 -0.055 0.000 1.214 72 L HN -0.129 nan 8.230 nan 0.000 0.426 73 P HA 0.166 nan 4.420 nan 0.000 0.218 73 P C -0.887 176.383 177.300 -0.050 0.000 1.793 73 P CA 0.140 63.210 63.100 -0.050 0.000 0.941 73 P CB 0.189 31.852 31.700 -0.062 0.000 1.919 74 M N -0.154 119.431 119.600 -0.025 0.000 2.575 74 M HA 0.487 4.967 4.480 -0.000 0.000 0.284 74 M C 0.653 176.975 176.300 0.037 0.000 1.253 74 M CA -0.584 54.720 55.300 0.006 0.000 0.861 74 M CB 2.318 34.928 32.600 0.017 0.000 1.733 74 M HN -0.020 nan 8.290 nan 0.000 0.462 75 G N 0.086 108.926 108.800 0.067 0.000 2.525 75 G HA2 0.708 4.668 3.960 -0.000 0.000 0.287 75 G HA3 0.708 4.668 3.960 -0.000 0.000 0.287 75 G C -0.435 174.534 174.900 0.115 0.000 1.350 75 G CA -0.487 44.659 45.100 0.076 0.000 1.039 75 G HN 0.805 nan 8.290 nan 0.000 0.513 76 G N -1.797 107.075 108.800 0.120 0.000 2.513 76 G HA2 0.694 4.654 3.960 -0.000 0.000 0.317 76 G HA3 0.694 4.654 3.960 -0.000 0.000 0.317 76 G C -0.408 174.612 174.900 0.199 0.000 1.277 76 G CA 0.164 45.355 45.100 0.153 0.000 0.955 76 G HN 1.098 nan 8.290 nan 0.000 0.484 77 G N -0.141 108.815 108.800 0.259 0.000 2.682 77 G HA2 0.697 4.657 3.960 -0.000 0.000 0.290 77 G HA3 0.697 4.657 3.960 -0.000 0.000 0.290 77 G C -1.723 173.323 174.900 0.243 0.000 1.425 77 G CA -0.776 44.465 45.100 0.236 0.000 0.807 77 G HN 0.703 nan 8.290 nan 0.000 0.482 78 K N -0.913 119.538 120.400 0.085 0.000 2.587 78 K HA 0.656 4.976 4.320 -0.000 0.000 0.276 78 K C -1.160 175.439 176.600 -0.002 0.000 0.956 78 K CA -0.430 55.932 56.287 0.124 0.000 0.857 78 K CB 1.992 34.544 32.500 0.087 0.000 1.431 78 K HN 0.584 nan 8.250 nan 0.000 0.420 79 S N 1.015 116.790 115.700 0.125 0.000 2.482 79 S HA 0.681 5.151 4.470 -0.000 0.000 0.303 79 S C -1.315 173.302 174.600 0.028 0.000 1.091 79 S CA -0.772 57.475 58.200 0.078 0.000 1.057 79 S CB 1.667 65.023 63.200 0.261 0.000 1.031 79 S HN 0.279 nan 8.310 nan 0.000 0.485 80 V N 3.950 123.835 119.914 -0.048 0.000 2.483 80 V HA 0.467 4.587 4.120 -0.000 0.000 0.297 80 V C -0.717 175.308 176.094 -0.115 0.000 1.027 80 V CA -0.533 61.728 62.300 -0.066 0.000 0.855 80 V CB 1.491 33.217 31.823 -0.160 0.000 0.995 80 V HN 0.807 nan 8.190 nan 0.000 0.424 81 I N 4.291 124.805 120.570 -0.093 0.000 2.328 81 I HA 0.541 4.711 4.170 -0.000 0.000 0.287 81 I C 0.635 176.722 176.117 -0.051 0.000 1.012 81 I CA -0.434 60.744 61.300 -0.203 0.000 1.195 81 I CB 1.612 39.476 38.000 -0.226 0.000 1.350 81 I HN 0.677 nan 8.210 nan 0.000 0.464 82 A N 8.418 131.191 122.820 -0.078 0.000 2.415 82 A HA 0.518 4.838 4.320 -0.000 0.000 0.309 82 A C -0.002 177.621 177.584 0.066 0.000 1.356 82 A CA -0.399 51.703 52.037 0.109 0.000 0.998 82 A CB -0.166 18.864 19.000 0.050 0.000 1.145 82 A HN 0.704 nan 8.150 nan 0.000 0.545 83 L N 4.099 125.378 121.223 0.093 0.000 2.426 83 L HA 0.207 4.546 4.340 -0.000 0.000 0.271 83 L C -1.036 175.874 176.870 0.066 0.000 1.169 83 L CA -1.418 53.457 54.840 0.058 0.000 0.836 83 L CB 0.771 42.865 42.059 0.058 0.000 1.112 83 L HN 0.520 nan 8.230 nan 0.000 0.465 84 P HA 0.079 nan 4.420 nan 0.000 0.241 84 P C -0.140 177.178 177.300 0.030 0.000 1.191 84 P CA 0.558 63.695 63.100 0.062 0.000 0.771 84 P CB 0.510 32.242 31.700 0.052 0.000 0.929 85 A N -1.158 121.664 122.820 0.003 0.000 2.540 85 A HA 0.606 4.926 4.320 -0.000 0.000 0.291 85 A C -3.160 174.384 177.584 -0.067 0.000 1.083 85 A CA -1.411 50.603 52.037 -0.038 0.000 0.650 85 A CB 0.201 19.160 19.000 -0.070 0.000 1.292 85 A HN -0.282 nan 8.150 nan 0.000 0.435 86 P HA 0.228 nan 4.420 nan 0.000 0.268 86 P C 0.676 177.887 177.300 -0.149 0.000 1.205 86 P CA -0.047 62.996 63.100 -0.095 0.000 0.771 86 P CB 0.634 32.330 31.700 -0.007 0.000 0.858 87 R N 3.844 124.283 120.500 -0.102 0.000 2.140 87 R HA -0.268 4.071 4.340 -0.000 0.000 0.250 87 R C 2.318 178.518 176.300 -0.168 0.000 1.150 87 R CA 2.317 58.321 56.100 -0.161 0.000 0.966 87 R CB -1.499 28.677 30.300 -0.206 0.000 0.869 87 R HN 0.706 nan 8.270 nan 0.000 0.445 88 H N -1.108 117.895 119.070 -0.112 0.000 2.321 88 H HA -0.136 4.420 4.556 -0.000 0.000 0.295 88 H C 1.605 176.892 175.328 -0.068 0.000 1.102 88 H CA 2.002 57.998 56.048 -0.088 0.000 1.266 88 H CB -0.509 29.218 29.762 -0.060 0.000 1.363 88 H HN 0.408 nan 8.280 nan 0.000 0.492 89 S N 1.078 116.382 115.700 -0.661 0.000 2.562 89 S HA 0.122 4.592 4.470 -0.000 0.000 0.221 89 S C 0.955 175.428 174.600 -0.211 0.000 0.975 89 S CA -0.439 57.444 58.200 -0.529 0.000 0.918 89 S CB -0.264 62.436 63.200 -0.834 0.000 0.772 89 S HN 0.274 nan 8.310 nan 0.000 0.531 90 I N 4.842 125.316 120.570 -0.160 0.000 2.436 90 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 90 I C 0.286 176.397 176.117 -0.009 0.000 1.083 90 I CA -0.617 60.651 61.300 -0.054 0.000 1.372 90 I CB -0.527 37.469 38.000 -0.008 0.000 1.408 90 I HN 0.390 nan 8.210 nan 0.000 0.516 91 D N 8.448 128.864 120.400 0.027 0.000 2.361 91 D HA 0.121 4.761 4.640 -0.000 0.000 0.239 91 D C -2.098 174.264 176.300 0.102 0.000 1.200 91 D CA -1.692 52.336 54.000 0.046 0.000 0.915 91 D CB 0.398 41.220 40.800 0.037 0.000 1.170 91 D HN 0.182 nan 8.370 nan 0.000 0.444 92 P HA -0.102 nan 4.420 nan 0.000 0.218 92 P C 1.201 178.594 177.300 0.156 0.000 1.148 92 P CA 1.182 64.370 63.100 0.148 0.000 0.822 92 P CB 0.140 31.903 31.700 0.105 0.000 0.784 93 S N -1.140 114.621 115.700 0.102 0.000 2.355 93 S HA -0.115 4.355 4.470 -0.000 0.000 0.222 93 S C 1.915 176.566 174.600 0.085 0.000 1.031 93 S CA 1.803 60.048 58.200 0.076 0.000 0.993 93 S CB -1.319 61.910 63.200 0.047 0.000 0.859 93 S HN 0.256 nan 8.310 nan 0.000 0.453 94 T N 1.179 115.795 114.554 0.103 0.000 2.746 94 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 94 T C 1.356 176.162 174.700 0.176 0.000 1.039 94 T CA 0.960 63.127 62.100 0.111 0.000 1.142 94 T CB -0.326 68.605 68.868 0.104 0.000 0.866 94 T HN 0.594 nan 8.240 nan 0.000 0.444 95 W N 1.794 123.106 121.300 0.020 0.000 2.358 95 W HA -0.117 4.543 4.660 -0.000 0.000 0.303 95 W C 2.489 179.037 176.519 0.050 0.000 1.208 95 W CA 1.006 58.371 57.345 0.033 0.000 1.274 95 W CB -0.271 29.205 29.460 0.027 0.000 1.138 95 W HN 0.293 nan 8.180 nan 0.000 0.515 96 A N 0.942 123.792 122.820 0.051 0.000 1.933 96 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 96 A C 2.026 179.554 177.584 -0.093 0.000 1.175 96 A CA 1.849 53.849 52.037 -0.062 0.000 0.628 96 A CB -0.974 18.040 19.000 0.023 0.000 0.814 96 A HN 0.426 nan 8.150 nan 0.000 0.444 97 R N -0.248 120.229 120.500 -0.037 0.000 2.075 97 R HA -0.027 4.313 4.340 -0.000 0.000 0.232 97 R C 1.905 178.184 176.300 -0.035 0.000 1.126 97 R CA 1.569 57.649 56.100 -0.034 0.000 0.963 97 R CB -0.398 29.898 30.300 -0.007 0.000 0.858 97 R HN 0.500 nan 8.270 nan 0.000 0.435 98 I N 1.030 121.586 120.570 -0.023 0.000 2.208 98 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 98 I C 2.169 178.281 176.117 -0.007 0.000 1.097 98 I CA 1.291 62.634 61.300 0.073 0.000 1.363 98 I CB -0.172 37.810 38.000 -0.030 0.000 1.051 98 I HN 0.275 nan 8.210 nan 0.000 0.413 99 L N -0.028 121.033 121.223 -0.270 0.000 2.056 99 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 99 L C 2.773 179.584 176.870 -0.097 0.000 1.078 99 L CA 1.119 55.821 54.840 -0.231 0.000 0.749 99 L CB -0.635 41.184 42.059 -0.400 0.000 0.901 99 L HN 0.249 nan 8.230 nan 0.000 0.433 100 R N 0.910 121.342 120.500 -0.114 0.000 2.081 100 R HA -0.171 4.168 4.340 -0.000 0.000 0.235 100 R C 2.270 178.494 176.300 -0.127 0.000 1.131 100 R CA 1.552 57.589 56.100 -0.105 0.000 0.960 100 R CB -0.265 29.980 30.300 -0.093 0.000 0.856 100 R HN 0.308 nan 8.270 nan 0.000 0.436 101 I N -0.121 120.356 120.570 -0.155 0.000 2.179 101 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 101 I C 2.535 178.450 176.117 -0.337 0.000 1.088 101 I CA 1.587 62.699 61.300 -0.313 0.000 1.357 101 I CB -0.505 37.203 38.000 -0.485 0.000 1.051 101 I HN 0.323 nan 8.210 nan 0.000 0.409 102 H N 1.350 120.245 119.070 -0.292 0.000 2.352 102 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 102 H C 2.114 177.388 175.328 -0.090 0.000 1.097 102 H CA 1.732 57.709 56.048 -0.118 0.000 1.311 102 H CB -0.169 29.649 29.762 0.094 0.000 1.377 102 H HN 0.302 nan 8.280 nan 0.000 0.504 103 A N 0.668 123.386 122.820 -0.171 0.000 1.933 103 A HA -0.179 4.140 4.320 -0.000 0.000 0.218 103 A C 2.325 179.805 177.584 -0.174 0.000 1.175 103 A CA 1.746 53.652 52.037 -0.218 0.000 0.628 103 A CB -0.485 18.418 19.000 -0.161 0.000 0.814 103 A HN 0.663 nan 8.150 nan 0.000 0.444 104 E N -0.059 120.047 120.200 -0.157 0.000 2.110 104 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 104 E C 1.728 178.255 176.600 -0.122 0.000 0.988 104 E CA 1.180 57.500 56.400 -0.134 0.000 0.804 104 E CB -0.188 29.424 29.700 -0.148 0.000 0.745 104 E HN 0.583 nan 8.360 nan 0.000 0.458 105 N N 0.841 119.456 118.700 -0.142 0.000 2.142 105 N HA -0.117 4.622 4.740 -0.000 0.000 0.186 105 N C 1.919 177.390 175.510 -0.065 0.000 1.023 105 N CA 0.903 53.895 53.050 -0.097 0.000 0.852 105 N CB -0.239 38.208 38.487 -0.068 0.000 0.998 105 N HN 0.186 nan 8.380 nan 0.000 0.424 106 I N 0.904 121.419 120.570 -0.093 0.000 2.286 106 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 106 I C 1.879 177.983 176.117 -0.023 0.000 1.115 106 I CA 1.193 62.474 61.300 -0.032 0.000 1.392 106 I CB -0.240 37.685 38.000 -0.126 0.000 1.065 106 I HN 0.030 nan 8.210 nan 0.000 0.418 107 D N 1.044 121.431 120.400 -0.022 0.000 2.149 107 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 107 D C 2.140 178.445 176.300 0.008 0.000 0.990 107 D CA 1.324 55.353 54.000 0.048 0.000 0.839 107 D CB 0.078 40.871 40.800 -0.011 0.000 0.948 107 D HN 0.151 nan 8.370 nan 0.000 0.460 108 K N -0.401 119.977 120.400 -0.036 0.000 2.209 108 K HA -0.053 4.267 4.320 -0.000 0.000 0.204 108 K C 1.863 178.421 176.600 -0.071 0.000 1.048 108 K CA 0.514 56.774 56.287 -0.045 0.000 0.940 108 K CB -0.028 32.444 32.500 -0.046 0.000 0.729 108 K HN 0.284 nan 8.250 nan 0.000 0.451 109 L N 1.018 122.181 121.223 -0.099 0.000 2.552 109 L HA -0.027 4.313 4.340 -0.000 0.000 0.227 109 L C 0.189 176.895 176.870 -0.274 0.000 1.146 109 L CA 0.035 54.792 54.840 -0.138 0.000 0.858 109 L CB -0.403 41.604 42.059 -0.086 0.000 0.969 109 L HN 0.058 nan 8.230 nan 0.000 0.451 110 S N 0.720 116.211 115.700 -0.347 0.000 3.410 110 S HA -0.225 4.245 4.470 -0.000 0.000 0.369 110 S C 1.303 175.382 174.600 -0.869 0.000 0.961 110 S CA 0.608 58.527 58.200 -0.468 0.000 1.248 110 S CB -1.713 61.390 63.200 -0.162 0.000 0.914 110 S HN 0.862 nan 8.310 nan 0.000 0.497 111 G N 0.767 108.502 108.800 -1.775 0.000 2.194 111 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.236 111 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.236 111 G C 0.552 175.212 174.900 -0.400 0.000 0.987 111 G CA 0.244 44.577 45.100 -1.279 0.000 0.635 111 G HN 0.576 nan 8.290 nan 0.000 0.520 112 N N -0.638 117.875 118.700 -0.312 0.000 2.463 112 N HA 0.114 4.854 4.740 -0.000 0.000 0.181 112 N C 0.072 175.629 175.510 0.079 0.000 1.078 112 N CA 0.800 53.815 53.050 -0.058 0.000 0.902 112 N CB 0.236 38.694 38.487 -0.047 0.000 0.970 112 N HN 0.688 nan 8.380 nan 0.000 0.451 113 Y N -0.555 119.636 120.300 -0.182 0.000 2.396 113 Y HA 0.332 4.882 4.550 -0.001 0.000 0.332 113 Y C -1.826 173.965 175.900 -0.183 0.000 1.034 113 Y CA -1.166 56.894 58.100 -0.066 0.000 1.057 113 Y CB 0.880 39.299 38.460 -0.068 0.000 1.220 113 Y HN -0.187 nan 8.280 nan 0.000 0.440 114 W N 5.091 125.898 121.300 -0.822 0.000 2.532 114 W HA 0.568 5.227 4.660 -0.001 0.000 0.321 114 W C 0.023 175.909 176.519 -1.055 0.000 1.037 114 W CA -0.562 56.271 57.345 -0.853 0.000 1.220 114 W CB 2.137 31.107 29.460 -0.817 0.000 1.361 114 W HN 0.494 nan 8.180 nan 0.000 0.468 115 T N 1.135 115.296 114.554 -0.655 0.000 2.884 115 T HA 0.871 5.220 4.350 -0.000 0.000 0.277 115 T C 0.016 174.748 174.700 0.052 0.000 0.976 115 T CA -0.086 61.858 62.100 -0.259 0.000 0.956 115 T CB 0.861 69.693 68.868 -0.059 0.000 1.113 115 T HN 0.649 nan 8.240 nan 0.000 0.554 116 G N 0.918 109.835 108.800 0.195 0.000 2.550 116 G HA2 0.592 4.551 3.960 -0.000 0.000 0.293 116 G HA3 0.592 4.551 3.960 -0.000 0.000 0.293 116 G C -3.310 171.730 174.900 0.234 0.000 1.402 116 G CA -0.951 44.304 45.100 0.258 0.000 0.784 116 G HN 0.558 nan 8.290 nan 0.000 0.482 117 P HA 0.529 nan 4.420 nan 0.000 0.276 117 P C -0.772 176.639 177.300 0.185 0.000 1.244 117 P CA 0.011 63.230 63.100 0.199 0.000 0.801 117 P CB 1.880 33.685 31.700 0.175 0.000 1.006 118 D N -0.789 119.715 120.400 0.173 0.000 3.236 118 D HA 0.224 4.864 4.640 -0.000 0.000 0.325 118 D C -1.086 175.292 176.300 0.130 0.000 1.352 118 D CA -0.502 53.588 54.000 0.149 0.000 0.979 118 D CB 0.764 41.658 40.800 0.156 0.000 1.410 118 D HN -0.036 nan 8.370 nan 0.000 0.588 119 V N 2.641 122.622 119.914 0.112 0.000 2.540 119 V HA 0.146 4.265 4.120 -0.000 0.000 0.297 119 V C 0.249 176.398 176.094 0.092 0.000 1.024 119 V CA 0.571 62.922 62.300 0.086 0.000 1.105 119 V CB 0.258 32.121 31.823 0.067 0.000 0.938 119 V HN 0.698 nan 8.190 nan 0.000 0.482 120 N N 1.421 120.160 118.700 0.064 0.000 2.948 120 N HA -0.148 4.592 4.740 -0.000 0.000 0.239 120 N C 0.341 175.921 175.510 0.117 0.000 0.954 120 N CA 1.479 54.551 53.050 0.037 0.000 0.941 120 N CB -1.140 37.336 38.487 -0.017 0.000 1.101 120 N HN 0.989 nan 8.380 nan 0.000 0.579 121 T N -1.668 112.994 114.554 0.181 0.000 2.893 121 T HA 0.718 5.068 4.350 -0.000 0.000 0.291 121 T C -0.041 174.779 174.700 0.200 0.000 1.028 121 T CA -0.667 61.596 62.100 0.272 0.000 0.995 121 T CB 2.878 71.936 68.868 0.316 0.000 1.051 121 T HN 0.281 nan 8.240 nan 0.000 0.470 122 N N -0.266 118.561 118.700 0.211 0.000 3.229 122 N HA 0.412 5.151 4.740 -0.000 0.000 0.315 122 N C 1.114 176.721 175.510 0.162 0.000 1.520 122 N CA -0.383 52.764 53.050 0.161 0.000 0.769 122 N CB 0.524 39.086 38.487 0.125 0.000 1.766 122 N HN 0.567 nan 8.380 nan 0.000 0.618 123 S N -1.796 113.985 115.700 0.136 0.000 2.423 123 S HA -0.033 4.437 4.470 -0.000 0.000 0.231 123 S C 1.760 176.431 174.600 0.119 0.000 1.014 123 S CA 0.732 59.009 58.200 0.128 0.000 0.965 123 S CB -0.942 62.326 63.200 0.114 0.000 0.785 123 S HN 0.759 nan 8.310 nan 0.000 0.495 124 A N 2.516 125.409 122.820 0.123 0.000 1.898 124 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 124 A C 1.946 179.613 177.584 0.138 0.000 1.181 124 A CA 1.524 53.632 52.037 0.119 0.000 0.620 124 A CB -0.724 18.348 19.000 0.121 0.000 0.819 124 A HN 0.483 nan 8.150 nan 0.000 0.442 125 D N -0.339 120.174 120.400 0.189 0.000 2.144 125 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 125 D C 1.925 178.298 176.300 0.123 0.000 0.984 125 D CA 1.105 55.226 54.000 0.201 0.000 0.834 125 D CB -0.305 40.686 40.800 0.319 0.000 0.955 125 D HN 0.262 nan 8.370 nan 0.000 0.465 126 M N 0.879 120.555 119.600 0.126 0.000 2.159 126 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 126 M C 1.393 177.725 176.300 0.054 0.000 1.063 126 M CA 1.099 56.456 55.300 0.095 0.000 1.110 126 M CB -0.798 31.873 32.600 0.119 0.000 1.374 126 M HN -0.078 nan 8.290 nan 0.000 0.411 127 D N -0.042 120.394 120.400 0.061 0.000 2.144 127 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 127 D C 1.968 178.276 176.300 0.012 0.000 0.978 127 D CA 1.429 55.450 54.000 0.035 0.000 0.833 127 D CB -0.313 40.514 40.800 0.045 0.000 0.961 127 D HN 0.297 nan 8.370 nan 0.000 0.470 128 T N 1.129 115.696 114.554 0.021 0.000 2.708 128 T HA -0.080 4.269 4.350 -0.000 0.000 0.266 128 T C 2.224 176.900 174.700 -0.040 0.000 1.037 128 T CA 0.593 62.690 62.100 -0.006 0.000 1.146 128 T CB -0.330 68.536 68.868 -0.004 0.000 0.865 128 T HN 0.120 nan 8.240 nan 0.000 0.435 129 L N 1.499 122.699 121.223 -0.039 0.000 2.042 129 L HA -0.133 4.206 4.340 -0.000 0.000 0.210 129 L C 2.637 179.442 176.870 -0.107 0.000 1.076 129 L CA 1.219 56.012 54.840 -0.078 0.000 0.749 129 L CB -0.637 41.379 42.059 -0.072 0.000 0.893 129 L HN 0.377 nan 8.230 nan 0.000 0.432 130 N N -0.066 118.582 118.700 -0.087 0.000 2.520 130 N HA -0.186 4.554 4.740 -0.000 0.000 0.185 130 N C 1.015 176.462 175.510 -0.105 0.000 1.068 130 N CA 0.795 53.778 53.050 -0.111 0.000 0.911 130 N CB 0.064 38.505 38.487 -0.077 0.000 0.961 130 N HN 0.341 nan 8.380 nan 0.000 0.446 131 D N -0.510 119.842 120.400 -0.080 0.000 2.219 131 D HA -0.058 4.582 4.640 -0.000 0.000 0.205 131 D C 1.246 177.490 176.300 -0.092 0.000 0.970 131 D CA 1.170 55.127 54.000 -0.072 0.000 0.851 131 D CB -0.014 40.755 40.800 -0.052 0.000 0.943 131 D HN 0.276 nan 8.370 nan 0.000 0.488 132 T N -1.489 112.998 114.554 -0.112 0.000 3.018 132 T HA 0.069 4.419 4.350 -0.000 0.000 0.246 132 T C 0.916 175.517 174.700 -0.164 0.000 1.026 132 T CA 0.271 62.297 62.100 -0.123 0.000 1.081 132 T CB 0.977 69.774 68.868 -0.118 0.000 0.970 132 T HN -0.001 nan 8.240 nan 0.000 0.475 133 T N 0.521 114.947 114.554 -0.214 0.000 2.909 133 T HA 0.318 4.668 4.350 -0.000 0.000 0.299 133 T C 0.340 174.754 174.700 -0.477 0.000 1.073 133 T CA -0.611 61.298 62.100 -0.318 0.000 0.999 133 T CB 2.309 71.034 68.868 -0.239 0.000 1.098 133 T HN 0.122 nan 8.240 nan 0.000 0.477 134 E N 2.388 122.092 120.200 -0.826 0.000 2.152 134 E HA 0.007 4.357 4.350 -0.000 0.000 0.192 134 E C -0.133 175.827 176.600 -1.067 0.000 0.983 134 E CA 0.807 56.649 56.400 -0.930 0.000 0.818 134 E CB -0.034 28.838 29.700 -1.379 0.000 0.758 134 E HN 0.720 nan 8.360 nan 0.000 0.467 135 F N 1.640 121.090 119.950 -0.833 0.000 2.651 135 F HA 0.199 4.726 4.527 -0.000 0.000 0.369 135 F C -0.636 174.612 175.800 -0.920 0.000 1.187 135 F CA -0.525 56.544 58.000 -1.551 0.000 1.335 135 F CB 0.194 38.166 39.000 -1.714 0.000 1.707 135 F HN -0.264 nan 8.300 nan 0.000 0.637 136 V N 1.410 121.086 119.914 -0.396 0.000 2.623 136 V HA 0.392 4.512 4.120 -0.000 0.000 0.304 136 V C -0.374 175.748 176.094 0.046 0.000 1.054 136 V CA -0.981 61.221 62.300 -0.163 0.000 0.882 136 V CB 1.635 33.393 31.823 -0.107 0.000 1.002 136 V HN 0.086 nan 8.190 nan 0.000 0.424 137 F N 1.578 121.654 119.950 0.210 0.000 2.450 137 F HA 0.788 5.314 4.527 -0.001 0.000 0.328 137 F C 1.366 177.234 175.800 0.114 0.000 1.068 137 F CA -0.194 57.896 58.000 0.150 0.000 1.007 137 F CB 1.443 40.511 39.000 0.113 0.000 1.251 137 F HN 0.771 nan 8.300 nan 0.000 0.492 138 G N 1.095 110.087 108.800 0.320 0.000 2.143 138 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.249 138 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.249 138 G C 0.482 175.487 174.900 0.176 0.000 0.981 138 G CA -0.353 44.884 45.100 0.228 0.000 0.665 138 G HN 0.599 nan 8.290 nan 0.000 0.528 139 R N 0.831 121.425 120.500 0.156 0.000 2.863 139 R HA 0.454 4.794 4.340 -0.000 0.000 0.273 139 R C 1.554 177.918 176.300 0.106 0.000 1.057 139 R CA 0.427 56.596 56.100 0.113 0.000 1.191 139 R CB 0.242 30.596 30.300 0.090 0.000 1.104 139 R HN 0.610 nan 8.270 nan 0.000 0.519 140 S N 0.600 116.352 115.700 0.087 0.000 2.576 140 S HA -0.000 4.470 4.470 -0.000 0.000 0.272 140 S C 1.585 176.227 174.600 0.071 0.000 1.352 140 S CA -0.596 57.652 58.200 0.079 0.000 1.021 140 S CB 0.425 63.665 63.200 0.066 0.000 0.887 140 S HN 0.540 nan 8.310 nan 0.000 0.542 141 L N 0.660 121.923 121.223 0.067 0.000 2.043 141 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 141 L C 2.649 179.546 176.870 0.044 0.000 1.075 141 L CA 1.823 56.698 54.840 0.057 0.000 0.752 141 L CB -0.909 41.182 42.059 0.053 0.000 0.891 141 L HN 0.683 nan 8.230 nan 0.000 0.432 142 E N -0.224 120.001 120.200 0.040 0.000 2.153 142 E HA -0.143 4.206 4.350 -0.000 0.000 0.194 142 E C 2.045 178.663 176.600 0.030 0.000 0.988 142 E CA 0.791 57.210 56.400 0.032 0.000 0.811 142 E CB -0.132 29.586 29.700 0.029 0.000 0.746 142 E HN 0.223 nan 8.360 nan 0.000 0.466 143 R N -0.638 119.883 120.500 0.036 0.000 2.310 143 R HA 0.171 4.510 4.340 -0.000 0.000 0.202 143 R C 0.813 177.133 176.300 0.034 0.000 0.933 143 R CA 0.734 56.853 56.100 0.031 0.000 1.054 143 R CB 0.413 30.732 30.300 0.032 0.000 0.985 143 R HN 0.338 nan 8.270 nan 0.000 0.489 144 G N -0.342 108.481 108.800 0.039 0.000 2.176 144 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.232 144 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.232 144 G C 0.432 175.365 174.900 0.054 0.000 0.986 144 G CA -0.074 45.050 45.100 0.040 0.000 0.643 144 G HN 0.587 nan 8.290 nan 0.000 0.522 145 G N -1.084 107.757 108.800 0.068 0.000 2.671 145 G HA2 0.727 4.687 3.960 -0.000 0.000 0.275 145 G HA3 0.727 4.687 3.960 -0.000 0.000 0.275 145 G C 1.025 175.964 174.900 0.065 0.000 1.368 145 G CA 0.463 45.614 45.100 0.085 0.000 1.044 145 G HN 1.247 nan 8.290 nan 0.000 0.543 146 A N -1.562 121.294 122.820 0.059 0.000 2.275 146 A HA 0.566 4.886 4.320 -0.000 0.000 0.212 146 A C 1.523 179.234 177.584 0.212 0.000 1.201 146 A CA 1.274 53.333 52.037 0.037 0.000 0.843 146 A CB -0.997 17.869 19.000 -0.223 0.000 0.873 146 A HN 2.458 nan 8.150 nan 0.000 0.492 147 G N -0.357 108.556 108.800 0.189 0.000 2.645 147 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.246 147 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.246 147 G C 0.319 175.359 174.900 0.234 0.000 1.322 147 G CA -0.027 45.186 45.100 0.188 0.000 0.898 147 G HN 1.307 nan 8.290 nan 0.000 0.573 148 S N -0.210 115.577 115.700 0.145 0.000 2.546 148 S HA 0.379 4.849 4.470 -0.000 0.000 0.290 148 S C 1.729 176.300 174.600 -0.049 0.000 1.290 148 S CA 0.957 59.206 58.200 0.081 0.000 1.069 148 S CB 0.343 63.577 63.200 0.057 0.000 0.846 148 S HN 2.103 nan 8.310 nan 0.000 0.495 149 S N 4.246 119.929 115.700 -0.028 0.000 2.535 149 S HA 0.224 4.694 4.470 -0.000 0.000 0.214 149 S C 1.887 176.418 174.600 -0.114 0.000 0.980 149 S CA 0.196 58.284 58.200 -0.186 0.000 0.907 149 S CB -0.170 63.079 63.200 0.083 0.000 0.790 149 S HN 0.871 nan 8.310 nan 0.000 0.510 150 A N 2.003 124.809 122.820 -0.024 0.000 1.903 150 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 150 A C 1.824 179.413 177.584 0.007 0.000 1.191 150 A CA 1.738 53.781 52.037 0.010 0.000 0.638 150 A CB -1.202 17.824 19.000 0.042 0.000 0.823 150 A HN 0.604 nan 8.150 nan 0.000 0.451 151 F N 1.073 120.966 119.950 -0.094 0.000 2.102 151 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 151 F C 2.573 178.339 175.800 -0.057 0.000 1.105 151 F CA 2.276 60.235 58.000 -0.067 0.000 1.239 151 F CB -0.386 38.582 39.000 -0.053 0.000 0.991 151 F HN 0.225 nan 8.300 nan 0.000 0.474 152 T N -0.769 113.746 114.554 -0.064 0.000 2.788 152 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 152 T C 1.832 176.445 174.700 -0.145 0.000 1.044 152 T CA 1.875 63.916 62.100 -0.098 0.000 1.139 152 T CB -0.602 68.262 68.868 -0.007 0.000 0.867 152 T HN 0.302 nan 8.240 nan 0.000 0.454 153 T N 1.986 116.473 114.554 -0.112 0.000 2.708 153 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 153 T C 2.435 177.054 174.700 -0.134 0.000 1.037 153 T CA 1.172 63.222 62.100 -0.083 0.000 1.146 153 T CB -0.561 68.284 68.868 -0.039 0.000 0.865 153 T HN 0.447 nan 8.240 nan 0.000 0.435 154 A N 1.048 123.741 122.820 -0.211 0.000 1.883 154 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 154 A C 2.593 180.029 177.584 -0.248 0.000 1.186 154 A CA 1.509 53.402 52.037 -0.240 0.000 0.624 154 A CB -1.117 17.703 19.000 -0.300 0.000 0.822 154 A HN 0.349 nan 8.150 nan 0.000 0.444 155 V N -0.041 119.631 119.914 -0.405 0.000 2.287 155 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 155 V C 2.807 178.842 176.094 -0.099 0.000 1.053 155 V CA 2.108 64.251 62.300 -0.262 0.000 1.027 155 V CB -1.490 30.118 31.823 -0.360 0.000 0.646 155 V HN 0.630 nan 8.190 nan 0.000 0.447 156 G N -0.508 108.214 108.800 -0.130 0.000 2.418 156 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 156 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 156 G C 1.644 176.502 174.900 -0.070 0.000 1.158 156 G CA 1.176 46.219 45.100 -0.096 0.000 0.771 156 G HN 0.399 nan 8.290 nan 0.000 0.545 157 V N 0.377 120.260 119.914 -0.052 0.000 2.358 157 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 157 V C 2.300 178.397 176.094 0.005 0.000 1.047 157 V CA 1.572 63.849 62.300 -0.037 0.000 1.035 157 V CB -0.608 31.193 31.823 -0.036 0.000 0.658 157 V HN 0.370 nan 8.190 nan 0.000 0.452 158 F N 1.591 121.469 119.950 -0.120 0.000 2.102 158 F HA -0.154 4.372 4.527 -0.000 0.000 0.298 158 F C 2.451 178.207 175.800 -0.074 0.000 1.105 158 F CA 1.843 59.786 58.000 -0.095 0.000 1.239 158 F CB -0.284 38.650 39.000 -0.110 0.000 0.991 158 F HN 0.145 nan 8.300 nan 0.000 0.474 159 E N 0.631 120.707 120.200 -0.206 0.000 2.106 159 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 159 E C 2.442 178.919 176.600 -0.205 0.000 0.984 159 E CA 1.090 57.327 56.400 -0.272 0.000 0.806 159 E CB -0.823 28.786 29.700 -0.152 0.000 0.750 159 E HN 0.507 nan 8.360 nan 0.000 0.458 160 A N 1.601 124.335 122.820 -0.143 0.000 1.877 160 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 160 A C 2.250 179.783 177.584 -0.085 0.000 1.186 160 A CA 1.716 53.686 52.037 -0.112 0.000 0.620 160 A CB -0.578 18.356 19.000 -0.110 0.000 0.822 160 A HN 0.241 nan 8.150 nan 0.000 0.443 161 M N -0.519 119.017 119.600 -0.107 0.000 2.080 161 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 161 M C 2.054 178.280 176.300 -0.123 0.000 1.068 161 M CA 2.111 57.358 55.300 -0.088 0.000 1.109 161 M CB -0.242 32.319 32.600 -0.065 0.000 1.342 161 M HN 0.360 nan 8.290 nan 0.000 0.405 162 K N -0.027 120.222 120.400 -0.253 0.000 2.057 162 K HA -0.125 4.195 4.320 -0.000 0.000 0.207 162 K C 1.966 178.502 176.600 -0.108 0.000 1.049 162 K CA 1.487 57.634 56.287 -0.233 0.000 0.931 162 K CB -0.303 31.961 32.500 -0.393 0.000 0.714 162 K HN 0.464 nan 8.250 nan 0.000 0.440 163 A N 0.902 123.675 122.820 -0.077 0.000 1.969 163 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 163 A C 2.169 179.821 177.584 0.114 0.000 1.169 163 A CA 1.837 53.885 52.037 0.018 0.000 0.635 163 A CB -0.716 18.292 19.000 0.014 0.000 0.810 163 A HN 0.247 nan 8.150 nan 0.000 0.445 164 T N -0.623 113.994 114.554 0.104 0.000 2.770 164 T HA -0.081 4.269 4.350 -0.000 0.000 0.263 164 T C 1.862 176.558 174.700 -0.006 0.000 1.039 164 T CA 1.399 63.555 62.100 0.093 0.000 1.142 164 T CB -0.381 68.553 68.868 0.110 0.000 0.868 164 T HN 0.122 nan 8.240 nan 0.000 0.435 165 V N 1.673 121.580 119.914 -0.010 0.000 2.343 165 V HA -0.170 3.949 4.120 -0.000 0.000 0.247 165 V C 2.857 178.937 176.094 -0.023 0.000 1.051 165 V CA 1.719 64.005 62.300 -0.023 0.000 1.036 165 V CB -1.125 30.682 31.823 -0.027 0.000 0.654 165 V HN 0.534 nan 8.190 nan 0.000 0.451 166 A N -1.073 121.743 122.820 -0.006 0.000 1.858 166 A HA -0.295 4.025 4.320 -0.000 0.000 0.216 166 A C 2.256 179.842 177.584 0.003 0.000 1.190 166 A CA 1.973 54.010 52.037 0.000 0.000 0.617 166 A CB -0.975 18.032 19.000 0.013 0.000 0.827 166 A HN 0.675 nan 8.150 nan 0.000 0.443 167 H N -0.727 118.306 119.070 -0.061 0.000 2.422 167 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 167 H C 2.146 177.385 175.328 -0.149 0.000 1.098 167 H CA 1.875 57.865 56.048 -0.097 0.000 1.315 167 H CB 0.113 29.793 29.762 -0.137 0.000 1.382 167 H HN 0.333 nan 8.280 nan 0.000 0.523 168 R N 0.501 120.922 120.500 -0.132 0.000 2.280 168 R HA -0.015 4.324 4.340 -0.000 0.000 0.207 168 R C 1.058 177.281 176.300 -0.128 0.000 1.043 168 R CA 0.945 56.958 56.100 -0.145 0.000 1.006 168 R CB -0.473 29.767 30.300 -0.100 0.000 0.885 168 R HN 0.541 nan 8.270 nan 0.000 0.467 169 G N -0.166 108.563 108.800 -0.117 0.000 2.142 169 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.225 169 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.225 169 G C 0.329 175.194 174.900 -0.058 0.000 1.015 169 G CA 0.359 45.404 45.100 -0.091 0.000 0.716 169 G HN 0.347 nan 8.290 nan 0.000 0.508 170 L N -0.120 121.075 121.223 -0.046 0.000 2.607 170 L HA 0.474 4.813 4.340 -0.000 0.000 0.228 170 L C 1.921 178.777 176.870 -0.023 0.000 1.123 170 L CA 0.472 55.294 54.840 -0.030 0.000 0.890 170 L CB -0.308 41.737 42.059 -0.022 0.000 1.103 170 L HN 1.085 nan 8.230 nan 0.000 0.468 171 G N 0.774 109.558 108.800 -0.026 0.000 2.498 171 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.245 171 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.245 171 G C 0.029 174.919 174.900 -0.017 0.000 1.204 171 G CA -0.081 45.008 45.100 -0.018 0.000 0.933 171 G HN 0.425 nan 8.290 nan 0.000 0.574 172 S N -0.800 114.895 115.700 -0.010 0.000 2.713 172 S HA 0.682 5.152 4.470 -0.000 0.000 0.277 172 S C 1.528 176.126 174.600 -0.002 0.000 1.168 172 S CA 0.021 58.215 58.200 -0.010 0.000 0.994 172 S CB 1.448 64.648 63.200 0.001 0.000 1.054 172 S HN 1.042 nan 8.310 nan 0.000 0.555 173 L N 0.205 121.430 121.223 0.005 0.000 2.492 173 L HA 0.153 4.493 4.340 -0.000 0.000 0.223 173 L C 0.663 177.559 176.870 0.043 0.000 1.132 173 L CA 0.267 55.123 54.840 0.026 0.000 0.850 173 L CB -0.511 41.580 42.059 0.053 0.000 0.966 173 L HN 0.719 nan 8.230 nan 0.000 0.454 174 D N 0.439 120.864 120.400 0.042 0.000 2.450 174 D HA 0.194 4.834 4.640 -0.000 0.000 0.247 174 D C 1.215 177.535 176.300 0.033 0.000 1.162 174 D CA 1.316 55.342 54.000 0.044 0.000 0.879 174 D CB 0.908 41.731 40.800 0.040 0.000 1.163 174 D HN 0.277 nan 8.370 nan 0.000 0.472 175 G N 3.053 111.874 108.800 0.036 0.000 2.268 175 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.240 175 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.240 175 G C 0.523 175.439 174.900 0.027 0.000 1.010 175 G CA 0.247 45.364 45.100 0.029 0.000 0.618 175 G HN 0.545 nan 8.290 nan 0.000 0.516 176 L N 1.589 122.829 121.223 0.028 0.000 2.436 176 L HA 0.452 4.792 4.340 -0.000 0.000 0.265 176 L C 0.706 177.594 176.870 0.029 0.000 1.168 176 L CA -0.058 54.798 54.840 0.025 0.000 0.815 176 L CB 0.891 42.963 42.059 0.023 0.000 1.109 176 L HN 0.107 nan 8.230 nan 0.000 0.462 177 T N 2.117 116.689 114.554 0.029 0.000 2.771 177 T HA 0.394 4.744 4.350 -0.000 0.000 0.291 177 T C -0.196 174.526 174.700 0.037 0.000 0.954 177 T CA -0.331 61.788 62.100 0.031 0.000 1.045 177 T CB 1.176 70.063 68.868 0.031 0.000 0.917 177 T HN 0.208 nan 8.240 nan 0.000 0.484 178 V N 5.036 124.967 119.914 0.028 0.000 2.487 178 V HA 0.444 4.564 4.120 -0.000 0.000 0.298 178 V C -0.477 175.635 176.094 0.031 0.000 1.028 178 V CA -0.950 61.368 62.300 0.031 0.000 0.860 178 V CB 1.645 33.476 31.823 0.012 0.000 0.991 178 V HN 0.679 nan 8.190 nan 0.000 0.427 179 L N 7.211 128.484 121.223 0.083 0.000 2.262 179 L HA 0.616 4.956 4.340 -0.000 0.000 0.288 179 L C -0.442 176.468 176.870 0.066 0.000 1.035 179 L CA 0.178 55.086 54.840 0.113 0.000 0.820 179 L CB 1.415 43.610 42.059 0.226 0.000 1.204 179 L HN 0.427 nan 8.230 nan 0.000 0.424 180 V N 5.741 125.660 119.914 0.007 0.000 2.350 180 V HA 0.324 4.443 4.120 -0.000 0.000 0.276 180 V C 0.101 176.191 176.094 -0.007 0.000 1.028 180 V CA -0.433 61.840 62.300 -0.045 0.000 0.860 180 V CB 1.104 32.887 31.823 -0.066 0.000 0.990 180 V HN 0.824 nan 8.190 nan 0.000 0.453 181 Q N 4.105 123.887 119.800 -0.030 0.000 2.390 181 Q HA 0.558 4.898 4.340 -0.000 0.000 0.249 181 Q C 0.134 176.130 176.000 -0.006 0.000 0.996 181 Q CA 0.173 55.997 55.803 0.036 0.000 0.899 181 Q CB 1.036 29.843 28.738 0.115 0.000 1.216 181 Q HN 1.087 nan 8.270 nan 0.000 0.465 182 G N 3.824 112.628 108.800 0.007 0.000 3.224 182 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.684 182 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.684 182 G C -0.597 174.297 174.900 -0.011 0.000 1.180 182 G CA -0.756 44.343 45.100 -0.001 0.000 1.099 182 G HN 0.697 nan 8.290 nan 0.000 0.476 183 L N 2.816 124.037 121.223 -0.003 0.000 3.064 183 L HA 0.444 4.784 4.340 -0.000 0.000 0.233 183 L C 1.640 178.507 176.870 -0.005 0.000 1.333 183 L CA 0.122 54.956 54.840 -0.010 0.000 1.140 183 L CB -0.002 42.054 42.059 -0.006 0.000 1.519 183 L HN 0.690 nan 8.230 nan 0.000 0.493 184 G N -0.347 108.452 108.800 -0.002 0.000 2.546 184 G HA2 0.346 4.305 3.960 -0.000 0.000 0.239 184 G HA3 0.346 4.305 3.960 -0.000 0.000 0.239 184 G C 1.127 176.033 174.900 0.010 0.000 1.476 184 G CA 0.354 45.459 45.100 0.007 0.000 1.064 184 G HN 0.286 nan 8.290 nan 0.000 0.561 185 A N -1.537 121.295 122.820 0.020 0.000 1.908 185 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 185 A C 2.485 180.084 177.584 0.025 0.000 1.181 185 A CA 2.304 54.359 52.037 0.030 0.000 0.627 185 A CB -0.718 18.306 19.000 0.040 0.000 0.818 185 A HN 0.419 nan 8.150 nan 0.000 0.445 186 V N -0.501 119.418 119.914 0.009 0.000 2.331 186 V HA -0.041 4.079 4.120 -0.000 0.000 0.242 186 V C 2.855 178.931 176.094 -0.029 0.000 1.034 186 V CA 1.604 63.896 62.300 -0.014 0.000 1.027 186 V CB -1.512 30.300 31.823 -0.018 0.000 0.667 186 V HN 0.575 nan 8.190 nan 0.000 0.457 187 G N 0.479 109.263 108.800 -0.027 0.000 2.476 187 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 187 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 187 G C 1.639 176.514 174.900 -0.043 0.000 1.164 187 G CA 1.157 46.233 45.100 -0.039 0.000 0.768 187 G HN 0.585 nan 8.290 nan 0.000 0.560 188 G N 0.393 109.175 108.800 -0.030 0.000 2.418 188 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.217 188 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.217 188 G C 2.146 177.028 174.900 -0.030 0.000 1.158 188 G CA 1.457 46.533 45.100 -0.039 0.000 0.771 188 G HN 0.439 nan 8.290 nan 0.000 0.545 189 S N 0.192 115.889 115.700 -0.005 0.000 2.368 189 S HA -0.071 4.399 4.470 -0.000 0.000 0.224 189 S C 2.152 176.705 174.600 -0.078 0.000 1.029 189 S CA 1.016 59.224 58.200 0.014 0.000 0.988 189 S CB -0.244 63.008 63.200 0.087 0.000 0.838 189 S HN 0.267 nan 8.310 nan 0.000 0.462 190 L N 2.073 123.239 121.223 -0.095 0.000 2.046 190 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 190 L C 2.338 179.146 176.870 -0.104 0.000 1.077 190 L CA 1.852 56.630 54.840 -0.104 0.000 0.747 190 L CB -0.993 41.030 42.059 -0.061 0.000 0.896 190 L HN 0.239 nan 8.230 nan 0.000 0.432 191 A N -1.263 121.499 122.820 -0.096 0.000 1.883 191 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 191 A C 2.382 179.897 177.584 -0.114 0.000 1.186 191 A CA 2.216 54.173 52.037 -0.134 0.000 0.624 191 A CB -1.061 17.847 19.000 -0.153 0.000 0.822 191 A HN 0.553 nan 8.150 nan 0.000 0.444 192 S N -0.124 115.537 115.700 -0.066 0.000 2.368 192 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 192 S C 1.823 176.352 174.600 -0.119 0.000 1.030 192 S CA 1.431 59.611 58.200 -0.032 0.000 0.999 192 S CB -0.466 62.733 63.200 -0.002 0.000 0.844 192 S HN 0.495 nan 8.310 nan 0.000 0.459 193 L N 1.111 122.183 121.223 -0.252 0.000 2.046 193 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 193 L C 2.790 179.332 176.870 -0.545 0.000 1.077 193 L CA 1.212 55.701 54.840 -0.586 0.000 0.747 193 L CB -0.668 40.726 42.059 -1.107 0.000 0.896 193 L HN 0.329 nan 8.230 nan 0.000 0.432 194 A N -0.081 122.602 122.820 -0.228 0.000 1.930 194 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 194 A C 2.532 180.141 177.584 0.041 0.000 1.175 194 A CA 1.531 53.607 52.037 0.066 0.000 0.627 194 A CB -0.616 18.442 19.000 0.096 0.000 0.815 194 A HN 0.386 nan 8.150 nan 0.000 0.443 195 A N -0.444 122.365 122.820 -0.017 0.000 1.902 195 A HA -0.189 4.130 4.320 -0.000 0.000 0.217 195 A C 2.010 179.624 177.584 0.051 0.000 1.181 195 A CA 1.704 53.767 52.037 0.043 0.000 0.623 195 A CB -0.538 18.535 19.000 0.121 0.000 0.818 195 A HN 0.610 nan 8.150 nan 0.000 0.443 196 E N -0.400 119.806 120.200 0.009 0.000 2.153 196 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 196 E C 1.863 178.496 176.600 0.055 0.000 0.988 196 E CA 0.799 57.209 56.400 0.017 0.000 0.811 196 E CB -0.164 29.520 29.700 -0.028 0.000 0.746 196 E HN 0.570 nan 8.360 nan 0.000 0.466 197 A N -0.354 122.524 122.820 0.097 0.000 2.235 197 A HA 0.172 4.492 4.320 -0.000 0.000 0.208 197 A C 1.572 179.225 177.584 0.115 0.000 1.172 197 A CA 1.039 53.177 52.037 0.167 0.000 0.786 197 A CB -0.209 18.994 19.000 0.339 0.000 0.804 197 A HN 0.409 nan 8.150 nan 0.000 0.479 198 G N -2.350 106.502 108.800 0.087 0.000 2.176 198 G HA2 0.119 4.079 3.960 -0.000 0.000 0.232 198 G HA3 0.119 4.079 3.960 -0.000 0.000 0.232 198 G C 0.452 175.391 174.900 0.065 0.000 0.986 198 G CA 0.184 45.326 45.100 0.070 0.000 0.643 198 G HN 1.524 nan 8.290 nan 0.000 0.522 199 A N -0.013 122.850 122.820 0.071 0.000 2.366 199 A HA 0.650 4.970 4.320 -0.000 0.000 0.249 199 A C 0.444 178.055 177.584 0.045 0.000 1.084 199 A CA 0.192 52.261 52.037 0.054 0.000 0.794 199 A CB 0.384 19.417 19.000 0.055 0.000 1.034 199 A HN 0.281 nan 8.150 nan 0.000 0.491 200 Q N 1.173 120.995 119.800 0.038 0.000 2.331 200 Q HA 0.366 4.706 4.340 -0.000 0.000 0.257 200 Q C -0.956 175.052 176.000 0.014 0.000 0.957 200 Q CA -0.281 55.550 55.803 0.046 0.000 0.923 200 Q CB 1.428 30.195 28.738 0.048 0.000 1.212 200 Q HN 0.527 nan 8.270 nan 0.000 0.443 201 L N 3.967 125.179 121.223 -0.019 0.000 2.307 201 L HA 0.494 4.834 4.340 -0.000 0.000 0.282 201 L C -0.003 176.850 176.870 -0.029 0.000 1.051 201 L CA -0.406 54.361 54.840 -0.121 0.000 0.804 201 L CB 0.871 42.612 42.059 -0.530 0.000 1.197 201 L HN 0.461 nan 8.230 nan 0.000 0.431 202 L N 4.531 125.745 121.223 -0.014 0.000 2.322 202 L HA 0.718 5.057 4.340 -0.000 0.000 0.281 202 L C -0.120 176.760 176.870 0.018 0.000 1.014 202 L CA -0.844 54.012 54.840 0.028 0.000 0.815 202 L CB 1.947 44.033 42.059 0.045 0.000 1.247 202 L HN 0.404 nan 8.230 nan 0.000 0.421 203 V N 0.077 120.014 119.914 0.037 0.000 3.078 203 V HA 1.039 5.159 4.120 -0.000 0.000 0.311 203 V C -0.684 175.438 176.094 0.047 0.000 1.138 203 V CA -0.590 61.729 62.300 0.032 0.000 1.007 203 V CB 1.881 33.722 31.823 0.029 0.000 1.045 203 V HN 0.881 nan 8.190 nan 0.000 0.432 204 A N 1.681 124.527 122.820 0.044 0.000 2.549 204 A HA 0.893 5.213 4.320 -0.000 0.000 0.297 204 A C -1.404 176.202 177.584 0.037 0.000 1.061 204 A CA -0.302 51.763 52.037 0.047 0.000 0.690 204 A CB 1.948 20.985 19.000 0.061 0.000 1.287 204 A HN 1.127 nan 8.150 nan 0.000 0.402 205 D N 0.296 120.715 120.400 0.033 0.000 2.706 205 D HA 0.275 4.915 4.640 -0.000 0.000 0.225 205 D C 0.885 177.198 176.300 0.021 0.000 1.241 205 D CA 0.515 54.530 54.000 0.025 0.000 0.784 205 D CB 2.044 42.857 40.800 0.023 0.000 1.521 205 D HN 0.575 nan 8.370 nan 0.000 0.461 206 T N -0.833 113.730 114.554 0.015 0.000 2.995 206 T HA -0.072 4.278 4.350 -0.000 0.000 0.269 206 T C 0.689 175.393 174.700 0.006 0.000 1.091 206 T CA 0.448 62.553 62.100 0.009 0.000 1.128 206 T CB 0.075 68.945 68.868 0.003 0.000 0.891 206 T HN 0.220 nan 8.240 nan 0.000 0.492 207 D N 2.797 123.202 120.400 0.009 0.000 2.352 207 D HA 0.115 4.755 4.640 -0.000 0.000 0.245 207 D C 1.555 177.866 176.300 0.017 0.000 1.224 207 D CA 0.205 54.210 54.000 0.009 0.000 0.879 207 D CB 1.405 42.212 40.800 0.012 0.000 1.057 207 D HN 0.375 nan 8.370 nan 0.000 0.491 208 T N 0.852 115.414 114.554 0.013 0.000 2.803 208 T HA -0.227 4.122 4.350 -0.000 0.000 0.269 208 T C 1.484 176.201 174.700 0.029 0.000 1.052 208 T CA 1.276 63.387 62.100 0.019 0.000 1.136 208 T CB -0.062 68.812 68.868 0.010 0.000 0.864 208 T HN 0.539 nan 8.240 nan 0.000 0.467 209 E N 0.795 121.012 120.200 0.029 0.000 2.072 209 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 209 E C 2.534 179.181 176.600 0.079 0.000 0.985 209 E CA 0.561 56.985 56.400 0.041 0.000 0.801 209 E CB 0.022 29.739 29.700 0.028 0.000 0.750 209 E HN 0.317 nan 8.360 nan 0.000 0.452 210 R N 0.299 120.842 120.500 0.072 0.000 2.105 210 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 210 R C 2.402 178.755 176.300 0.087 0.000 1.135 210 R CA 1.076 57.227 56.100 0.085 0.000 0.967 210 R CB -0.863 29.465 30.300 0.047 0.000 0.861 210 R HN 0.214 nan 8.270 nan 0.000 0.442 211 V N 1.255 121.210 119.914 0.067 0.000 2.358 211 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 211 V C 2.591 178.734 176.094 0.082 0.000 1.047 211 V CA 1.750 64.090 62.300 0.067 0.000 1.035 211 V CB -0.873 30.979 31.823 0.049 0.000 0.658 211 V HN 0.307 nan 8.190 nan 0.000 0.452 212 A N -0.870 121.996 122.820 0.078 0.000 1.933 212 A HA -0.290 4.030 4.320 -0.000 0.000 0.218 212 A C 2.145 179.798 177.584 0.115 0.000 1.175 212 A CA 2.149 54.228 52.037 0.070 0.000 0.628 212 A CB -0.909 18.116 19.000 0.042 0.000 0.814 212 A HN 0.756 nan 8.150 nan 0.000 0.444 213 H N -0.681 118.396 119.070 0.012 0.000 2.321 213 H HA -0.030 4.526 4.556 -0.000 0.000 0.300 213 H C 2.339 177.673 175.328 0.010 0.000 1.087 213 H CA 1.108 57.161 56.048 0.008 0.000 1.319 213 H CB -0.020 29.752 29.762 0.015 0.000 1.379 213 H HN 0.461 nan 8.280 nan 0.000 0.501 214 A N 0.309 123.213 122.820 0.140 0.000 1.908 214 A HA -0.148 4.171 4.320 -0.000 0.000 0.218 214 A C 2.607 180.219 177.584 0.047 0.000 1.181 214 A CA 1.655 53.759 52.037 0.112 0.000 0.627 214 A CB -0.860 18.242 19.000 0.170 0.000 0.818 214 A HN 0.342 nan 8.150 nan 0.000 0.445 215 V N -0.210 119.743 119.914 0.066 0.000 2.407 215 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 215 V C 3.008 179.091 176.094 -0.018 0.000 1.055 215 V CA 1.810 64.127 62.300 0.028 0.000 1.049 215 V CB -1.169 30.679 31.823 0.041 0.000 0.662 215 V HN 0.620 nan 8.190 nan 0.000 0.455 216 A N -0.355 122.474 122.820 0.015 0.000 1.972 216 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 216 A C 2.039 179.598 177.584 -0.040 0.000 1.169 216 A CA 1.432 53.470 52.037 0.003 0.000 0.635 216 A CB -0.468 18.549 19.000 0.029 0.000 0.810 216 A HN 0.542 nan 8.150 nan 0.000 0.446 217 L N -1.355 119.811 121.223 -0.095 0.000 2.599 217 L HA 0.195 4.535 4.340 -0.000 0.000 0.230 217 L C 1.640 178.249 176.870 -0.436 0.000 1.141 217 L CA 0.536 55.237 54.840 -0.232 0.000 0.877 217 L CB -0.142 41.754 42.059 -0.272 0.000 1.009 217 L HN 0.592 nan 8.230 nan 0.000 0.447 218 G N -1.511 107.097 108.800 -0.320 0.000 2.179 218 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.220 218 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.220 218 G C 0.222 175.036 174.900 -0.143 0.000 0.990 218 G CA -0.426 44.540 45.100 -0.223 0.000 0.646 218 G HN 0.344 nan 8.290 nan 0.000 0.517 219 H N 0.707 119.790 119.070 0.021 0.000 2.597 219 H HA 0.588 5.144 4.556 -0.000 0.000 0.370 219 H C 0.244 175.585 175.328 0.022 0.000 1.281 219 H CA 0.667 56.727 56.048 0.019 0.000 1.422 219 H CB 0.549 30.319 29.762 0.013 0.000 1.524 219 H HN 0.114 nan 8.280 nan 0.000 0.607 220 T N 1.000 115.656 114.554 0.169 0.000 2.779 220 T HA 0.537 4.887 4.350 -0.000 0.000 0.280 220 T C 0.304 175.053 174.700 0.080 0.000 0.987 220 T CA -0.751 61.406 62.100 0.095 0.000 0.966 220 T CB 1.075 69.985 68.868 0.071 0.000 0.933 220 T HN 0.701 nan 8.240 nan 0.000 0.442 221 A N 3.133 125.992 122.820 0.065 0.000 2.371 221 A HA 0.646 4.965 4.320 -0.000 0.000 0.257 221 A C -0.126 177.484 177.584 0.044 0.000 1.089 221 A CA -0.417 51.653 52.037 0.055 0.000 0.794 221 A CB 0.348 19.375 19.000 0.045 0.000 1.029 221 A HN 0.678 nan 8.150 nan 0.000 0.488 222 V N 1.400 121.340 119.914 0.042 0.000 2.588 222 V HA 0.580 4.700 4.120 -0.000 0.000 0.304 222 V C 0.661 176.773 176.094 0.031 0.000 1.042 222 V CA -0.390 61.931 62.300 0.036 0.000 0.877 222 V CB 1.517 33.365 31.823 0.042 0.000 0.996 222 V HN 1.261 nan 8.190 nan 0.000 0.425 223 A N 4.058 126.892 122.820 0.022 0.000 2.462 223 A HA 0.444 4.763 4.320 -0.000 0.000 0.243 223 A C 1.186 178.781 177.584 0.018 0.000 1.076 223 A CA -0.136 51.912 52.037 0.018 0.000 0.773 223 A CB 0.078 19.084 19.000 0.011 0.000 1.010 223 A HN 0.933 nan 8.150 nan 0.000 0.493 224 L N 1.213 122.447 121.223 0.019 0.000 2.051 224 L HA -0.248 4.092 4.340 -0.000 0.000 0.214 224 L C 2.610 179.487 176.870 0.012 0.000 1.076 224 L CA 1.992 56.844 54.840 0.020 0.000 0.758 224 L CB -0.561 41.509 42.059 0.017 0.000 0.890 224 L HN 0.921 nan 8.230 nan 0.000 0.433 225 E N -0.500 119.704 120.200 0.005 0.000 2.268 225 E HA -0.201 4.148 4.350 -0.000 0.000 0.195 225 E C 0.539 177.134 176.600 -0.009 0.000 0.995 225 E CA 1.216 57.615 56.400 -0.002 0.000 0.836 225 E CB -0.279 29.419 29.700 -0.003 0.000 0.763 225 E HN 0.577 nan 8.360 nan 0.000 0.491 226 D N 0.792 121.188 120.400 -0.005 0.000 2.398 226 D HA 0.081 4.720 4.640 -0.000 0.000 0.210 226 D C 1.827 178.113 176.300 -0.022 0.000 1.094 226 D CA -0.055 53.937 54.000 -0.014 0.000 0.839 226 D CB 0.564 41.360 40.800 -0.007 0.000 0.963 226 D HN 0.001 nan 8.370 nan 0.000 0.506 227 V N 0.979 120.887 119.914 -0.010 0.000 2.282 227 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 227 V C 2.213 178.242 176.094 -0.109 0.000 1.057 227 V CA 1.385 63.682 62.300 -0.005 0.000 1.032 227 V CB -0.327 31.530 31.823 0.056 0.000 0.645 227 V HN 0.275 nan 8.190 nan 0.000 0.447 228 L N 0.509 121.648 121.223 -0.140 0.000 2.599 228 L HA 0.059 4.399 4.340 -0.000 0.000 0.230 228 L C 1.626 178.381 176.870 -0.192 0.000 1.141 228 L CA 0.849 55.541 54.840 -0.248 0.000 0.877 228 L CB -0.230 41.711 42.059 -0.198 0.000 1.009 228 L HN 0.495 nan 8.230 nan 0.000 0.447 229 S N -3.589 112.036 115.700 -0.125 0.000 2.701 229 S HA 0.135 4.605 4.470 -0.000 0.000 0.242 229 S C 0.598 175.156 174.600 -0.070 0.000 1.025 229 S CA -0.495 57.652 58.200 -0.089 0.000 1.016 229 S CB 0.162 63.326 63.200 -0.059 0.000 0.977 229 S HN 0.091 nan 8.310 nan 0.000 0.546 230 T N 5.396 119.904 114.554 -0.076 0.000 2.743 230 T HA 0.471 4.821 4.350 -0.000 0.000 0.293 230 T C -2.779 171.900 174.700 -0.036 0.000 0.945 230 T CA -1.149 60.927 62.100 -0.040 0.000 1.030 230 T CB 0.999 69.859 68.868 -0.013 0.000 0.912 230 T HN 0.140 nan 8.240 nan 0.000 0.483 231 P HA 0.356 nan 4.420 nan 0.000 0.268 231 P C -0.494 176.812 177.300 0.010 0.000 1.205 231 P CA -0.471 62.622 63.100 -0.011 0.000 0.771 231 P CB 0.186 31.882 31.700 -0.007 0.000 0.858 232 C N 0.354 119.666 119.300 0.020 0.000 3.295 232 C HA 0.415 4.875 4.460 -0.000 0.000 0.341 232 C C 0.832 175.848 174.990 0.043 0.000 1.418 232 C CA -0.590 58.453 59.018 0.042 0.000 1.240 232 C CB 1.320 29.107 27.740 0.077 0.000 1.562 232 C HN 0.453 nan 8.230 nan 0.000 0.457 233 D N 0.142 120.570 120.400 0.046 0.000 2.201 233 D HA 0.119 4.759 4.640 -0.000 0.000 0.209 233 D C 0.295 176.630 176.300 0.058 0.000 0.961 233 D CA 1.568 55.592 54.000 0.039 0.000 0.861 233 D CB 0.509 41.325 40.800 0.028 0.000 0.997 233 D HN 0.455 nan 8.370 nan 0.000 0.486 234 V N 1.602 121.562 119.914 0.076 0.000 2.540 234 V HA 0.256 4.375 4.120 -0.000 0.000 0.302 234 V C -0.860 175.334 176.094 0.166 0.000 1.035 234 V CA -0.933 61.425 62.300 0.097 0.000 0.873 234 V CB 2.225 34.081 31.823 0.055 0.000 0.992 234 V HN -0.053 nan 8.190 nan 0.000 0.428 235 F N 4.655 124.621 119.950 0.028 0.000 2.411 235 F HA 0.781 5.308 4.527 -0.000 0.000 0.352 235 F C 0.234 176.057 175.800 0.039 0.000 1.123 235 F CA -1.252 56.764 58.000 0.026 0.000 1.044 235 F CB 1.219 40.233 39.000 0.024 0.000 1.135 235 F HN 0.529 nan 8.300 nan 0.000 0.461 236 A N 8.651 131.168 122.820 -0.505 0.000 2.644 236 A HA 0.540 4.860 4.320 -0.000 0.000 0.343 236 A C -2.848 174.367 177.584 -0.615 0.000 1.324 236 A CA -1.595 50.181 52.037 -0.435 0.000 0.846 236 A CB -0.335 18.555 19.000 -0.184 0.000 1.128 236 A HN 0.478 nan 8.150 nan 0.000 0.484 237 P HA 0.239 nan 4.420 nan 0.000 0.281 237 P C -0.052 177.125 177.300 -0.205 0.000 1.286 237 P CA 0.003 62.803 63.100 -0.500 0.000 0.772 237 P CB 0.763 32.245 31.700 -0.365 0.000 0.862 238 C N 3.293 122.516 119.300 -0.129 0.000 3.098 238 C HA 0.540 5.000 4.460 -0.000 0.000 0.265 238 C C 1.426 176.401 174.990 -0.025 0.000 1.572 238 C CA 0.230 59.209 59.018 -0.065 0.000 1.788 238 C CB -0.780 26.921 27.740 -0.064 0.000 2.982 238 C HN 0.581 nan 8.230 nan 0.000 0.532 239 A N 0.760 123.573 122.820 -0.012 0.000 3.411 239 A HA 0.832 5.151 4.320 -0.000 0.000 0.197 239 A C 0.257 177.854 177.584 0.021 0.000 1.630 239 A CA 0.091 52.134 52.037 0.010 0.000 1.807 239 A CB -0.089 18.923 19.000 0.019 0.000 1.519 239 A HN 0.196 nan 8.150 nan 0.000 0.502 240 M N 0.056 119.673 119.600 0.028 0.000 2.369 240 M HA 0.448 4.928 4.480 -0.000 0.000 0.291 240 M C 0.858 177.187 176.300 0.048 0.000 1.178 240 M CA -0.495 54.825 55.300 0.034 0.000 0.996 240 M CB -0.062 32.550 32.600 0.020 0.000 1.472 240 M HN 0.679 nan 8.290 nan 0.000 0.496 241 G N -0.977 107.857 108.800 0.056 0.000 2.543 241 G HA2 0.479 4.439 3.960 -0.000 0.000 0.290 241 G HA3 0.479 4.439 3.960 -0.000 0.000 0.290 241 G C 0.537 175.474 174.900 0.062 0.000 1.310 241 G CA -0.170 44.970 45.100 0.067 0.000 1.025 241 G HN 1.106 nan 8.290 nan 0.000 0.502 242 G N -2.422 106.416 108.800 0.063 0.000 2.153 242 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.252 242 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.252 242 G C 1.209 176.139 174.900 0.050 0.000 0.994 242 G CA 1.280 46.411 45.100 0.051 0.000 0.698 242 G HN 1.743 nan 8.290 nan 0.000 0.521 243 V N -1.758 118.199 119.914 0.070 0.000 2.358 243 V HA 0.239 4.359 4.120 -0.000 0.000 0.246 243 V C 1.743 177.877 176.094 0.066 0.000 1.047 243 V CA 1.592 63.947 62.300 0.091 0.000 1.035 243 V CB -0.323 31.606 31.823 0.177 0.000 0.658 243 V HN 0.476 nan 8.190 nan 0.000 0.452 244 I N 3.612 124.216 120.570 0.056 0.000 2.256 244 I HA 0.242 4.411 4.170 -0.000 0.000 0.294 244 I C 0.782 176.892 176.117 -0.011 0.000 1.127 244 I CA -0.014 61.292 61.300 0.010 0.000 1.247 244 I CB 0.213 38.205 38.000 -0.013 0.000 1.460 244 I HN 0.392 nan 8.210 nan 0.000 0.511 245 T N 0.063 114.612 114.554 -0.008 0.000 2.824 245 T HA 0.154 4.504 4.350 -0.000 0.000 0.277 245 T C 1.307 175.999 174.700 -0.014 0.000 0.975 245 T CA -0.552 61.544 62.100 -0.006 0.000 0.966 245 T CB 1.353 70.219 68.868 -0.004 0.000 1.054 245 T HN 0.416 nan 8.240 nan 0.000 0.533 246 T N 0.638 115.188 114.554 -0.007 0.000 2.720 246 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 246 T C 1.844 176.536 174.700 -0.012 0.000 1.037 246 T CA 1.871 63.967 62.100 -0.007 0.000 1.144 246 T CB -0.429 68.439 68.868 0.000 0.000 0.864 246 T HN 0.726 nan 8.240 nan 0.000 0.444 247 E N 0.284 120.476 120.200 -0.013 0.000 2.077 247 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 247 E C 2.334 178.916 176.600 -0.030 0.000 0.989 247 E CA 0.978 57.367 56.400 -0.019 0.000 0.800 247 E CB -0.217 29.473 29.700 -0.017 0.000 0.746 247 E HN 0.256 nan 8.360 nan 0.000 0.452 248 V N 1.322 121.214 119.914 -0.036 0.000 2.427 248 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 248 V C 2.283 178.341 176.094 -0.061 0.000 1.051 248 V CA 1.631 63.896 62.300 -0.058 0.000 1.048 248 V CB -0.546 31.239 31.823 -0.063 0.000 0.666 248 V HN 0.310 nan 8.190 nan 0.000 0.456 249 A N -0.174 122.620 122.820 -0.043 0.000 1.972 249 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 249 A C 2.367 179.934 177.584 -0.029 0.000 1.169 249 A CA 1.545 53.560 52.037 -0.036 0.000 0.635 249 A CB -0.454 18.530 19.000 -0.025 0.000 0.810 249 A HN 0.489 nan 8.150 nan 0.000 0.446 250 R N -0.820 119.664 120.500 -0.026 0.000 2.148 250 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 250 R C 1.747 178.030 176.300 -0.030 0.000 1.088 250 R CA 1.686 57.773 56.100 -0.022 0.000 0.985 250 R CB -0.249 30.040 30.300 -0.018 0.000 0.880 250 R HN 0.732 nan 8.270 nan 0.000 0.451 251 T N -2.413 112.116 114.554 -0.042 0.000 3.044 251 T HA 0.154 4.503 4.350 -0.000 0.000 0.260 251 T C 0.505 175.166 174.700 -0.066 0.000 1.019 251 T CA -0.463 61.609 62.100 -0.048 0.000 0.921 251 T CB 0.134 68.973 68.868 -0.048 0.000 1.053 251 T HN -0.105 nan 8.240 nan 0.000 0.533 252 L N 3.352 124.527 121.223 -0.080 0.000 2.559 252 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 252 L C -0.039 176.786 176.870 -0.074 0.000 1.205 252 L CA 0.443 55.215 54.840 -0.113 0.000 0.907 252 L CB 0.254 42.243 42.059 -0.116 0.000 1.153 252 L HN 0.130 nan 8.230 nan 0.000 0.490 253 D N 4.834 125.186 120.400 -0.080 0.000 2.540 253 D HA 0.341 4.980 4.640 -0.000 0.000 0.251 253 D C -0.808 175.476 176.300 -0.025 0.000 1.159 253 D CA -0.154 53.818 54.000 -0.046 0.000 0.974 253 D CB 0.018 40.791 40.800 -0.045 0.000 0.996 253 D HN 0.640 nan 8.370 nan 0.000 0.512 254 C N -0.727 118.569 119.300 -0.006 0.000 3.314 254 C HA 0.673 5.133 4.460 -0.000 0.000 0.344 254 C C 1.118 176.124 174.990 0.027 0.000 1.461 254 C CA -0.612 58.421 59.018 0.025 0.000 1.249 254 C CB 1.527 29.311 27.740 0.073 0.000 1.632 254 C HN 0.189 nan 8.230 nan 0.000 0.452 255 S N -0.621 115.100 115.700 0.034 0.000 2.524 255 S HA 0.363 4.833 4.470 -0.000 0.000 0.222 255 S C 0.159 174.779 174.600 0.032 0.000 1.040 255 S CA 0.231 58.443 58.200 0.020 0.000 0.915 255 S CB 0.334 63.535 63.200 0.002 0.000 0.831 255 S HN 0.745 nan 8.310 nan 0.000 0.492 256 V N 1.649 121.600 119.914 0.061 0.000 2.925 256 V HA 0.536 4.655 4.120 -0.000 0.000 0.311 256 V C -1.138 175.041 176.094 0.142 0.000 1.104 256 V CA -0.674 61.673 62.300 0.078 0.000 0.954 256 V CB 2.260 34.109 31.823 0.043 0.000 1.022 256 V HN -0.006 nan 8.190 nan 0.000 0.427 257 V N 2.964 122.993 119.914 0.192 0.000 2.444 257 V HA 0.893 5.013 4.120 -0.000 0.000 0.294 257 V C -0.071 176.144 176.094 0.201 0.000 1.022 257 V CA -0.236 62.213 62.300 0.248 0.000 0.850 257 V CB 1.528 33.562 31.823 0.351 0.000 0.992 257 V HN 1.075 nan 8.190 nan 0.000 0.426 258 A N 3.825 126.690 122.820 0.075 0.000 2.547 258 A HA 0.887 5.207 4.320 -0.000 0.000 0.279 258 A C -0.184 177.372 177.584 -0.046 0.000 1.088 258 A CA 0.201 52.248 52.037 0.017 0.000 0.796 258 A CB 1.323 20.324 19.000 0.002 0.000 1.308 258 A HN 1.153 nan 8.150 nan 0.000 0.415 259 G N -0.399 108.372 108.800 -0.048 0.000 2.827 259 G HA2 0.709 4.669 3.960 -0.000 0.000 0.296 259 G HA3 0.709 4.669 3.960 -0.000 0.000 0.296 259 G C 0.459 175.330 174.900 -0.049 0.000 1.362 259 G CA 0.224 45.270 45.100 -0.089 0.000 0.809 259 G HN 1.445 nan 8.290 nan 0.000 0.522 260 A N -1.079 121.710 122.820 -0.051 0.000 2.115 260 A HA 0.700 5.020 4.320 -0.000 0.000 0.211 260 A C 1.620 179.208 177.584 0.007 0.000 1.169 260 A CA 1.357 53.381 52.037 -0.021 0.000 0.787 260 A CB -0.604 18.380 19.000 -0.026 0.000 0.858 260 A HN 1.869 nan 8.150 nan 0.000 0.474 261 A N 0.996 123.819 122.820 0.004 0.000 2.555 261 A HA 0.298 4.618 4.320 -0.000 0.000 0.233 261 A C 0.148 177.774 177.584 0.071 0.000 1.060 261 A CA -0.144 51.913 52.037 0.034 0.000 0.759 261 A CB -0.086 18.929 19.000 0.025 0.000 0.995 261 A HN 0.491 nan 8.150 nan 0.000 0.506 262 N N 0.774 119.525 118.700 0.084 0.000 2.530 262 N HA 0.120 4.859 4.740 -0.000 0.000 0.277 262 N C -0.224 175.358 175.510 0.119 0.000 1.168 262 N CA 0.199 53.317 53.050 0.113 0.000 0.979 262 N CB 0.472 39.027 38.487 0.114 0.000 1.141 262 N HN 0.704 nan 8.380 nan 0.000 0.459 263 N N -0.417 118.373 118.700 0.150 0.000 2.714 263 N HA -0.172 4.568 4.740 -0.000 0.000 0.253 263 N C 0.972 176.553 175.510 0.118 0.000 1.024 263 N CA -0.176 52.960 53.050 0.143 0.000 0.726 263 N CB -1.015 37.541 38.487 0.114 0.000 0.908 263 N HN 0.245 nan 8.380 nan 0.000 0.542 264 V N -0.353 119.642 119.914 0.134 0.000 2.324 264 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 264 V C 1.347 177.462 176.094 0.035 0.000 1.060 264 V CA 1.359 63.715 62.300 0.093 0.000 1.042 264 V CB -0.198 31.702 31.823 0.129 0.000 0.650 264 V HN 0.461 nan 8.190 nan 0.000 0.450 265 I N 0.754 121.330 120.570 0.010 0.000 2.379 265 I HA 0.205 4.375 4.170 -0.000 0.000 0.290 265 I C 1.292 177.420 176.117 0.018 0.000 1.063 265 I CA 0.221 61.497 61.300 -0.041 0.000 1.351 265 I CB 0.195 38.140 38.000 -0.091 0.000 1.410 265 I HN 0.121 nan 8.210 nan 0.000 0.505 266 A N 5.795 128.622 122.820 0.011 0.000 1.970 266 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 266 A C 0.399 178.001 177.584 0.029 0.000 1.170 266 A CA 1.017 53.070 52.037 0.027 0.000 0.645 266 A CB -0.313 18.701 19.000 0.022 0.000 0.816 266 A HN 0.816 nan 8.150 nan 0.000 0.447 267 D N -3.773 116.639 120.400 0.021 0.000 2.602 267 D HA 0.296 4.936 4.640 -0.000 0.000 0.236 267 D C 0.175 176.491 176.300 0.026 0.000 1.209 267 D CA -0.338 53.678 54.000 0.026 0.000 0.831 267 D CB 0.575 41.388 40.800 0.022 0.000 1.478 267 D HN 0.011 nan 8.370 nan 0.000 0.438 268 E N 0.440 120.661 120.200 0.035 0.000 2.118 268 E HA -0.232 4.117 4.350 -0.000 0.000 0.195 268 E C 1.873 178.493 176.600 0.034 0.000 0.992 268 E CA 1.424 57.848 56.400 0.040 0.000 0.804 268 E CB -0.177 29.549 29.700 0.043 0.000 0.741 268 E HN 0.540 nan 8.360 nan 0.000 0.458 269 A N 1.052 123.889 122.820 0.027 0.000 1.978 269 A HA -0.135 4.185 4.320 -0.000 0.000 0.220 269 A C 2.371 179.968 177.584 0.022 0.000 1.170 269 A CA 1.720 53.773 52.037 0.026 0.000 0.636 269 A CB -0.726 18.286 19.000 0.020 0.000 0.810 269 A HN 0.420 nan 8.150 nan 0.000 0.448 270 A N -0.653 122.172 122.820 0.009 0.000 1.902 270 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 270 A C 2.484 180.061 177.584 -0.012 0.000 1.181 270 A CA 2.212 54.244 52.037 -0.009 0.000 0.623 270 A CB -0.950 18.035 19.000 -0.026 0.000 0.818 270 A HN 0.622 nan 8.150 nan 0.000 0.443 271 S N -0.225 115.473 115.700 -0.002 0.000 2.356 271 S HA -0.194 4.276 4.470 -0.000 0.000 0.223 271 S C 1.686 176.333 174.600 0.079 0.000 1.032 271 S CA 1.714 59.927 58.200 0.022 0.000 1.005 271 S CB -0.535 62.697 63.200 0.054 0.000 0.867 271 S HN 0.565 nan 8.310 nan 0.000 0.449 272 D N 1.130 121.575 120.400 0.075 0.000 2.144 272 D HA -0.048 4.592 4.640 -0.000 0.000 0.199 272 D C 1.904 178.273 176.300 0.116 0.000 0.984 272 D CA 1.154 55.219 54.000 0.109 0.000 0.834 272 D CB -0.386 40.460 40.800 0.077 0.000 0.955 272 D HN 0.479 nan 8.370 nan 0.000 0.465 273 I N 0.573 121.183 120.570 0.067 0.000 2.202 273 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 273 I C 2.439 178.587 176.117 0.052 0.000 1.091 273 I CA 0.657 61.984 61.300 0.045 0.000 1.368 273 I CB -0.153 37.859 38.000 0.020 0.000 1.058 273 I HN -0.042 nan 8.210 nan 0.000 0.410 274 L N -0.191 121.067 121.223 0.059 0.000 2.042 274 L HA -0.275 4.065 4.340 -0.000 0.000 0.210 274 L C 2.740 179.678 176.870 0.114 0.000 1.076 274 L CA 1.573 56.455 54.840 0.069 0.000 0.749 274 L CB -0.946 41.153 42.059 0.066 0.000 0.893 274 L HN 0.341 nan 8.230 nan 0.000 0.432 275 H N 0.234 119.335 119.070 0.052 0.000 2.321 275 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 275 H C 2.123 177.473 175.328 0.037 0.000 1.087 275 H CA 1.622 57.706 56.048 0.059 0.000 1.319 275 H CB 0.037 29.844 29.762 0.075 0.000 1.379 275 H HN 0.267 nan 8.280 nan 0.000 0.501 276 A N 0.685 123.496 122.820 -0.015 0.000 1.969 276 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 276 A C 2.287 179.825 177.584 -0.076 0.000 1.169 276 A CA 1.407 53.393 52.037 -0.086 0.000 0.635 276 A CB -0.303 18.695 19.000 -0.004 0.000 0.810 276 A HN 0.492 nan 8.150 nan 0.000 0.445 277 R N -1.361 119.118 120.500 -0.036 0.000 2.313 277 R HA 0.166 4.505 4.340 -0.000 0.000 0.199 277 R C 1.195 177.472 176.300 -0.039 0.000 0.958 277 R CA 0.511 56.593 56.100 -0.030 0.000 1.047 277 R CB -0.117 30.176 30.300 -0.012 0.000 0.955 277 R HN 0.677 nan 8.270 nan 0.000 0.481 278 G N 1.525 110.290 108.800 -0.058 0.000 2.143 278 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.248 278 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.248 278 G C 0.115 175.004 174.900 -0.018 0.000 0.991 278 G CA -0.237 44.831 45.100 -0.054 0.000 0.689 278 G HN 0.257 nan 8.290 nan 0.000 0.522 279 I N 0.788 121.368 120.570 0.015 0.000 2.312 279 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 279 I C 0.410 176.575 176.117 0.080 0.000 1.031 279 I CA -0.925 60.400 61.300 0.042 0.000 1.293 279 I CB 1.239 39.270 38.000 0.052 0.000 1.403 279 I HN 0.067 nan 8.210 nan 0.000 0.484 280 L N 9.329 130.579 121.223 0.045 0.000 2.325 280 L HA 0.177 4.517 4.340 -0.000 0.000 0.284 280 L C -0.802 176.151 176.870 0.137 0.000 1.089 280 L CA 0.123 54.977 54.840 0.023 0.000 0.836 280 L CB 0.032 41.995 42.059 -0.160 0.000 1.184 280 L HN 0.408 nan 8.230 nan 0.000 0.444 281 Y N 4.986 125.336 120.300 0.083 0.000 2.328 281 Y HA 0.651 5.201 4.550 -0.000 0.000 0.337 281 Y C 0.070 176.085 175.900 0.190 0.000 1.008 281 Y CA -1.056 57.112 58.100 0.113 0.000 1.129 281 Y CB 1.153 39.677 38.460 0.106 0.000 1.185 281 Y HN 0.765 nan 8.280 nan 0.000 0.476 282 A N 8.924 131.618 122.820 -0.210 0.000 2.310 282 A HA 0.432 4.752 4.320 -0.000 0.000 0.300 282 A C -2.679 174.361 177.584 -0.906 0.000 1.269 282 A CA -1.875 49.986 52.037 -0.293 0.000 0.909 282 A CB -0.388 18.556 19.000 -0.094 0.000 1.144 282 A HN 0.633 nan 8.150 nan 0.000 0.540 283 P HA -0.021 nan 4.420 nan 0.000 0.262 283 P C 0.163 177.075 177.300 -0.646 0.000 1.182 283 P CA 0.287 62.761 63.100 -1.043 0.000 0.761 283 P CB 0.682 31.857 31.700 -0.874 0.000 0.795 284 D N 4.233 124.481 120.400 -0.254 0.000 2.154 284 D HA -0.295 4.344 4.640 -0.000 0.000 0.190 284 D C 1.421 177.684 176.300 -0.061 0.000 1.003 284 D CA 1.835 55.816 54.000 -0.032 0.000 0.849 284 D CB -1.548 39.359 40.800 0.178 0.000 0.942 284 D HN 0.514 nan 8.370 nan 0.000 0.446 285 F N -0.071 119.882 119.950 0.005 0.000 2.408 285 F HA 0.072 4.599 4.527 -0.000 0.000 0.300 285 F C 1.855 177.636 175.800 -0.030 0.000 1.090 285 F CA 0.323 58.325 58.000 0.003 0.000 1.427 285 F CB -0.611 38.403 39.000 0.025 0.000 1.070 285 F HN -0.050 nan 8.300 nan 0.000 0.549 286 V N 0.767 120.387 119.914 -0.491 0.000 2.436 286 V HA 0.050 4.169 4.120 -0.000 0.000 0.240 286 V C 2.845 178.814 176.094 -0.208 0.000 1.040 286 V CA 1.271 63.370 62.300 -0.335 0.000 1.052 286 V CB -0.928 30.595 31.823 -0.500 0.000 0.707 286 V HN 0.442 nan 8.190 nan 0.000 0.469 287 A N 1.988 124.662 122.820 -0.243 0.000 1.940 287 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 287 A C 1.781 179.311 177.584 -0.090 0.000 1.176 287 A CA 2.240 54.180 52.037 -0.162 0.000 0.631 287 A CB -0.729 18.173 19.000 -0.164 0.000 0.814 287 A HN 0.761 nan 8.150 nan 0.000 0.446 288 N N -0.327 118.341 118.700 -0.053 0.000 2.268 288 N HA 0.345 5.085 4.740 -0.000 0.000 0.204 288 N C 0.834 176.351 175.510 0.012 0.000 1.124 288 N CA 0.777 53.819 53.050 -0.014 0.000 0.838 288 N CB -0.311 38.184 38.487 0.013 0.000 0.994 288 N HN 0.260 nan 8.380 nan 0.000 0.489 289 A N -0.140 122.685 122.820 0.009 0.000 2.239 289 A HA 0.216 4.536 4.320 -0.000 0.000 0.209 289 A C 2.078 179.684 177.584 0.036 0.000 1.171 289 A CA 0.760 52.820 52.037 0.038 0.000 0.768 289 A CB -1.083 17.942 19.000 0.042 0.000 0.790 289 A HN 0.417 nan 8.150 nan 0.000 0.478 290 G N -0.041 108.767 108.800 0.012 0.000 2.432 290 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.219 290 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.219 290 G C 1.436 176.372 174.900 0.061 0.000 1.135 290 G CA 1.122 46.235 45.100 0.020 0.000 0.767 290 G HN 0.607 nan 8.290 nan 0.000 0.550 291 G N 1.122 109.954 108.800 0.053 0.000 2.421 291 G HA2 0.038 3.998 3.960 -0.000 0.000 0.216 291 G HA3 0.038 3.998 3.960 -0.000 0.000 0.216 291 G C 2.053 177.017 174.900 0.107 0.000 1.171 291 G CA 1.516 46.666 45.100 0.083 0.000 0.775 291 G HN 0.608 nan 8.290 nan 0.000 0.543 292 A N 0.642 123.505 122.820 0.073 0.000 1.898 292 A HA 0.080 4.400 4.320 -0.000 0.000 0.216 292 A C 2.405 179.984 177.584 -0.009 0.000 1.181 292 A CA 1.225 53.279 52.037 0.028 0.000 0.620 292 A CB -0.357 18.669 19.000 0.043 0.000 0.819 292 A HN 0.373 nan 8.150 nan 0.000 0.442 293 I N -1.191 119.413 120.570 0.056 0.000 2.208 293 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 293 I C 2.507 178.683 176.117 0.098 0.000 1.097 293 I CA 1.916 63.276 61.300 0.100 0.000 1.363 293 I CB -0.406 37.697 38.000 0.170 0.000 1.051 293 I HN 0.625 nan 8.210 nan 0.000 0.413 294 H N 1.075 120.159 119.070 0.024 0.000 2.326 294 H HA -0.095 4.461 4.556 -0.000 0.000 0.301 294 H C 2.131 177.415 175.328 -0.073 0.000 1.081 294 H CA 1.717 57.781 56.048 0.026 0.000 1.334 294 H CB -0.059 29.734 29.762 0.051 0.000 1.385 294 H HN 0.163 nan 8.280 nan 0.000 0.504 295 L N -0.493 120.656 121.223 -0.123 0.000 2.027 295 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 295 L C 2.532 179.018 176.870 -0.641 0.000 1.074 295 L CA 1.076 55.707 54.840 -0.349 0.000 0.745 295 L CB -0.363 41.563 42.059 -0.221 0.000 0.898 295 L HN 0.216 nan 8.230 nan 0.000 0.433 296 V N 0.079 119.630 119.914 -0.605 0.000 2.379 296 V HA -0.131 3.988 4.120 -0.000 0.000 0.245 296 V C 2.608 178.292 176.094 -0.684 0.000 1.044 296 V CA 1.807 63.681 62.300 -0.710 0.000 1.036 296 V CB -1.228 30.286 31.823 -0.515 0.000 0.664 296 V HN 0.544 nan 8.190 nan 0.000 0.453 297 G N 0.135 108.558 108.800 -0.627 0.000 2.433 297 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 297 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 297 G C 1.747 176.339 174.900 -0.512 0.000 1.186 297 G CA 0.531 45.125 45.100 -0.843 0.000 0.779 297 G HN 0.299 nan 8.290 nan 0.000 0.543 298 R N 0.735 121.032 120.500 -0.339 0.000 2.062 298 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 298 R C 2.465 178.609 176.300 -0.260 0.000 1.136 298 R CA 1.460 57.406 56.100 -0.256 0.000 0.948 298 R CB -0.744 29.351 30.300 -0.341 0.000 0.845 298 R HN 0.555 nan 8.270 nan 0.000 0.430 299 E N 0.065 120.063 120.200 -0.337 0.000 2.299 299 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 299 E C 1.759 178.205 176.600 -0.256 0.000 0.998 299 E CA 0.671 56.923 56.400 -0.246 0.000 0.851 299 E CB 0.341 29.945 29.700 -0.159 0.000 0.795 299 E HN 0.070 nan 8.360 nan 0.000 0.492 300 V N 0.387 120.062 119.914 -0.397 0.000 2.911 300 V HA -0.011 4.109 4.120 -0.000 0.000 0.237 300 V C 1.814 177.702 176.094 -0.344 0.000 1.156 300 V CA 0.438 62.528 62.300 -0.351 0.000 1.180 300 V CB 0.069 31.648 31.823 -0.407 0.000 0.932 300 V HN 0.140 nan 8.190 nan 0.000 0.483 301 L N 1.042 121.957 121.223 -0.513 0.000 2.558 301 L HA 0.379 4.719 4.340 -0.000 0.000 0.225 301 L C 1.689 178.358 176.870 -0.336 0.000 1.128 301 L CA 0.906 55.423 54.840 -0.538 0.000 0.868 301 L CB -0.461 40.910 42.059 -1.147 0.000 1.006 301 L HN 0.564 nan 8.230 nan 0.000 0.454 302 G N -0.969 107.681 108.800 -0.250 0.000 2.176 302 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.252 302 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.252 302 G C -0.164 174.808 174.900 0.119 0.000 1.024 302 G CA -0.375 44.692 45.100 -0.055 0.000 0.755 302 G HN 0.156 nan 8.290 nan 0.000 0.507 303 W N 1.265 122.532 121.300 -0.056 0.000 2.184 303 W HA 0.611 5.270 4.660 -0.001 0.000 0.338 303 W C 1.271 177.774 176.519 -0.028 0.000 1.257 303 W CA -0.720 56.603 57.345 -0.037 0.000 1.243 303 W CB 0.421 29.858 29.460 -0.039 0.000 1.122 303 W HN 0.555 nan 8.180 nan 0.000 0.585 304 S N 0.250 116.075 115.700 0.209 0.000 2.624 304 S HA 0.128 4.598 4.470 -0.000 0.000 0.263 304 S C 0.878 175.559 174.600 0.134 0.000 1.287 304 S CA -0.388 57.885 58.200 0.122 0.000 0.990 304 S CB 1.257 64.499 63.200 0.069 0.000 0.950 304 S HN 0.544 nan 8.310 nan 0.000 0.561 305 E N 0.804 121.071 120.200 0.111 0.000 2.118 305 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 305 E C 2.109 178.796 176.600 0.145 0.000 0.992 305 E CA 1.403 57.887 56.400 0.139 0.000 0.804 305 E CB -0.245 29.522 29.700 0.112 0.000 0.741 305 E HN 0.671 nan 8.360 nan 0.000 0.458 306 S N 0.303 116.056 115.700 0.088 0.000 2.356 306 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 306 S C 2.174 176.815 174.600 0.068 0.000 1.032 306 S CA 0.881 59.120 58.200 0.064 0.000 1.005 306 S CB -0.114 63.096 63.200 0.017 0.000 0.867 306 S HN 0.072 nan 8.310 nan 0.000 0.449 307 V N 1.385 121.306 119.914 0.013 0.000 2.427 307 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 307 V C 2.276 178.328 176.094 -0.070 0.000 1.051 307 V CA 1.241 63.474 62.300 -0.113 0.000 1.048 307 V CB -0.628 31.043 31.823 -0.254 0.000 0.666 307 V HN 0.316 nan 8.190 nan 0.000 0.456 308 V N -0.296 119.693 119.914 0.125 0.000 2.343 308 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 308 V C 2.449 178.636 176.094 0.154 0.000 1.051 308 V CA 2.392 64.827 62.300 0.226 0.000 1.036 308 V CB -0.889 31.117 31.823 0.304 0.000 0.654 308 V HN 0.674 nan 8.190 nan 0.000 0.451 309 H N 0.663 119.787 119.070 0.089 0.000 2.319 309 H HA -0.190 4.366 4.556 -0.000 0.000 0.299 309 H C 2.359 177.702 175.328 0.026 0.000 1.092 309 H CA 2.344 58.438 56.048 0.076 0.000 1.302 309 H CB 0.128 29.942 29.762 0.088 0.000 1.373 309 H HN 0.594 nan 8.280 nan 0.000 0.497 310 E N -0.041 120.227 120.200 0.113 0.000 2.077 310 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 310 E C 2.521 179.074 176.600 -0.079 0.000 0.989 310 E CA 0.701 57.108 56.400 0.012 0.000 0.800 310 E CB 0.102 29.778 29.700 -0.040 0.000 0.746 310 E HN 0.307 nan 8.360 nan 0.000 0.452 311 R N 0.464 120.899 120.500 -0.109 0.000 2.115 311 R HA 0.002 4.342 4.340 -0.000 0.000 0.230 311 R C 2.201 178.469 176.300 -0.054 0.000 1.111 311 R CA 1.129 57.168 56.100 -0.101 0.000 0.976 311 R CB -0.649 29.586 30.300 -0.108 0.000 0.870 311 R HN 0.188 nan 8.270 nan 0.000 0.445 312 A N 0.739 123.519 122.820 -0.066 0.000 1.898 312 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 312 A C 2.440 179.943 177.584 -0.136 0.000 1.181 312 A CA 1.274 53.254 52.037 -0.095 0.000 0.620 312 A CB -0.477 18.442 19.000 -0.136 0.000 0.819 312 A HN 0.084 nan 8.150 nan 0.000 0.442 313 V N -0.002 119.807 119.914 -0.175 0.000 2.407 313 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 313 V C 2.913 178.948 176.094 -0.097 0.000 1.055 313 V CA 1.662 63.882 62.300 -0.134 0.000 1.049 313 V CB -1.128 30.637 31.823 -0.097 0.000 0.662 313 V HN 0.592 nan 8.190 nan 0.000 0.455 314 A N -0.404 122.363 122.820 -0.087 0.000 2.225 314 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 314 A C 2.095 179.627 177.584 -0.087 0.000 1.164 314 A CA 1.217 53.207 52.037 -0.079 0.000 0.710 314 A CB -0.678 18.276 19.000 -0.075 0.000 0.780 314 A HN 0.555 nan 8.150 nan 0.000 0.473 315 I N -0.503 120.010 120.570 -0.094 0.000 2.454 315 I HA -0.224 3.946 4.170 -0.000 0.000 0.254 315 I C 2.582 178.618 176.117 -0.135 0.000 1.156 315 I CA 0.991 62.225 61.300 -0.110 0.000 1.433 315 I CB -0.360 37.577 38.000 -0.106 0.000 1.082 315 I HN 0.426 nan 8.210 nan 0.000 0.432 316 G N 0.427 109.156 108.800 -0.119 0.000 2.421 316 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.216 316 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.216 316 G C 1.265 176.096 174.900 -0.114 0.000 1.171 316 G CA 1.224 46.255 45.100 -0.114 0.000 0.775 316 G HN 0.419 nan 8.290 nan 0.000 0.543 317 D N -0.207 120.134 120.400 -0.099 0.000 2.117 317 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 317 D C 2.521 178.744 176.300 -0.128 0.000 0.987 317 D CA 1.744 55.688 54.000 -0.092 0.000 0.829 317 D CB -0.181 40.577 40.800 -0.071 0.000 0.961 317 D HN 0.223 nan 8.370 nan 0.000 0.460 318 T N 0.166 114.636 114.554 -0.141 0.000 2.720 318 T HA -0.146 4.204 4.350 -0.000 0.000 0.268 318 T C 1.987 176.521 174.700 -0.277 0.000 1.037 318 T CA 0.974 62.972 62.100 -0.169 0.000 1.144 318 T CB -0.352 68.429 68.868 -0.146 0.000 0.864 318 T HN 0.173 nan 8.240 nan 0.000 0.444 319 L N 1.002 122.015 121.223 -0.351 0.000 2.083 319 L HA -0.105 4.235 4.340 -0.000 0.000 0.209 319 L C 2.586 179.029 176.870 -0.712 0.000 1.083 319 L CA 0.880 55.334 54.840 -0.644 0.000 0.752 319 L CB -0.536 41.177 42.059 -0.577 0.000 0.899 319 L HN 0.216 nan 8.230 nan 0.000 0.433 320 N N -0.076 118.428 118.700 -0.327 0.000 2.166 320 N HA -0.202 4.537 4.740 -0.000 0.000 0.186 320 N C 1.839 177.229 175.510 -0.200 0.000 1.019 320 N CA 1.203 54.145 53.050 -0.180 0.000 0.856 320 N CB -0.174 38.277 38.487 -0.060 0.000 0.993 320 N HN 0.474 nan 8.380 nan 0.000 0.426 321 Q N 0.127 119.806 119.800 -0.201 0.000 2.119 321 Q HA -0.032 4.308 4.340 -0.000 0.000 0.201 321 Q C 2.092 177.979 176.000 -0.189 0.000 0.972 321 Q CA 0.902 56.615 55.803 -0.151 0.000 0.847 321 Q CB 0.012 28.681 28.738 -0.115 0.000 0.903 321 Q HN 0.152 nan 8.270 nan 0.000 0.433 322 V N 0.496 120.207 119.914 -0.338 0.000 2.295 322 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 322 V C 1.903 177.848 176.094 -0.249 0.000 1.049 322 V CA 1.713 63.804 62.300 -0.347 0.000 1.024 322 V CB -0.598 30.894 31.823 -0.551 0.000 0.648 322 V HN 0.251 nan 8.190 nan 0.000 0.447 323 F N 0.659 120.475 119.950 -0.223 0.000 2.171 323 F HA -0.136 4.391 4.527 0.000 0.000 0.300 323 F C 2.450 178.153 175.800 -0.162 0.000 1.090 323 F CA 1.470 59.292 58.000 -0.295 0.000 1.293 323 F CB -0.936 37.596 39.000 -0.779 0.000 1.013 323 F HN 0.263 nan 8.300 nan 0.000 0.486 324 E N 0.838 121.045 120.200 0.011 0.000 2.058 324 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 324 E C 2.252 178.881 176.600 0.049 0.000 0.997 324 E CA 1.583 58.013 56.400 0.050 0.000 0.801 324 E CB -0.296 29.413 29.700 0.016 0.000 0.746 324 E HN 0.418 nan 8.360 nan 0.000 0.450 325 I N 0.495 121.072 120.570 0.011 0.000 2.226 325 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 325 I C 2.713 178.857 176.117 0.045 0.000 1.100 325 I CA 1.020 62.330 61.300 0.018 0.000 1.374 325 I CB -0.349 37.645 38.000 -0.010 0.000 1.057 325 I HN 0.165 nan 8.210 nan 0.000 0.413 326 S N 0.650 116.391 115.700 0.068 0.000 2.368 326 S HA -0.220 4.249 4.470 -0.000 0.000 0.225 326 S C 1.723 176.406 174.600 0.139 0.000 1.030 326 S CA 1.871 60.130 58.200 0.098 0.000 0.999 326 S CB -0.250 63.045 63.200 0.158 0.000 0.844 326 S HN 0.370 nan 8.310 nan 0.000 0.459 327 D N 1.299 121.793 120.400 0.157 0.000 2.097 327 D HA -0.026 4.614 4.640 -0.000 0.000 0.197 327 D C 1.896 178.259 176.300 0.105 0.000 0.984 327 D CA 0.949 55.040 54.000 0.151 0.000 0.826 327 D CB -0.616 40.289 40.800 0.174 0.000 0.973 327 D HN 0.422 nan 8.370 nan 0.000 0.460 328 N N 0.959 119.710 118.700 0.085 0.000 2.171 328 N HA -0.096 4.643 4.740 -0.000 0.000 0.184 328 N C 0.927 176.471 175.510 0.055 0.000 1.021 328 N CA 0.898 53.985 53.050 0.062 0.000 0.854 328 N CB -0.147 38.369 38.487 0.047 0.000 0.994 328 N HN 0.195 nan 8.380 nan 0.000 0.426 329 D N -0.531 119.902 120.400 0.055 0.000 2.350 329 D HA 0.155 4.795 4.640 -0.000 0.000 0.213 329 D C 0.647 176.982 176.300 0.057 0.000 1.031 329 D CA 0.252 54.280 54.000 0.046 0.000 0.861 329 D CB 0.021 40.841 40.800 0.033 0.000 0.926 329 D HN 0.262 nan 8.370 nan 0.000 0.520 330 G N 1.228 110.078 108.800 0.083 0.000 2.298 330 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.287 330 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.287 330 G C 0.285 175.241 174.900 0.093 0.000 1.075 330 G CA 0.563 45.732 45.100 0.115 0.000 0.960 330 G HN 0.437 nan 8.290 nan 0.000 0.502 331 V N -3.124 116.808 119.914 0.030 0.000 3.102 331 V HA 0.962 5.082 4.120 -0.000 0.000 0.312 331 V C 0.751 176.643 176.094 -0.336 0.000 1.135 331 V CA -0.179 62.073 62.300 -0.080 0.000 1.022 331 V CB 1.512 33.315 31.823 -0.032 0.000 1.056 331 V HN 1.310 nan 8.190 nan 0.000 0.436 332 T N -0.928 113.375 114.554 -0.419 0.000 2.802 332 T HA 0.336 4.686 4.350 -0.000 0.000 0.305 332 T C -1.715 172.894 174.700 -0.152 0.000 1.053 332 T CA -0.549 61.244 62.100 -0.512 0.000 1.058 332 T CB 0.668 69.416 68.868 -0.199 0.000 0.988 332 T HN 0.624 nan 8.240 nan 0.000 0.539 333 P HA -0.030 nan 4.420 nan 0.000 0.217 333 P C 1.095 178.402 177.300 0.012 0.000 1.150 333 P CA 1.075 64.213 63.100 0.063 0.000 0.832 333 P CB -0.046 31.764 31.700 0.182 0.000 0.787 334 D N -0.718 119.741 120.400 0.099 0.000 2.097 334 D HA -0.184 4.455 4.640 -0.000 0.000 0.195 334 D C 1.902 178.293 176.300 0.152 0.000 0.989 334 D CA 1.051 55.146 54.000 0.159 0.000 0.827 334 D CB -0.154 40.810 40.800 0.275 0.000 0.966 334 D HN -0.019 nan 8.370 nan 0.000 0.456 335 E N -0.001 120.249 120.200 0.083 0.000 2.106 335 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 335 E C 2.107 178.735 176.600 0.047 0.000 0.984 335 E CA 0.952 57.388 56.400 0.060 0.000 0.806 335 E CB -0.375 29.336 29.700 0.019 0.000 0.750 335 E HN 0.401 nan 8.360 nan 0.000 0.458 336 A N 1.282 124.112 122.820 0.017 0.000 1.969 336 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 336 A C 2.374 179.960 177.584 0.003 0.000 1.169 336 A CA 1.742 53.779 52.037 -0.000 0.000 0.635 336 A CB -0.376 18.611 19.000 -0.021 0.000 0.810 336 A HN 0.253 nan 8.150 nan 0.000 0.445 337 A N -0.124 122.704 122.820 0.013 0.000 1.929 337 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 337 A C 2.209 179.944 177.584 0.252 0.000 1.176 337 A CA 1.353 53.418 52.037 0.047 0.000 0.628 337 A CB -0.392 18.511 19.000 -0.161 0.000 0.816 337 A HN 0.532 nan 8.150 nan 0.000 0.444 338 R N -0.874 119.790 120.500 0.274 0.000 2.081 338 R HA -0.079 4.261 4.340 -0.000 0.000 0.235 338 R C 2.245 178.587 176.300 0.070 0.000 1.131 338 R CA 1.819 58.007 56.100 0.147 0.000 0.960 338 R CB -0.710 29.639 30.300 0.081 0.000 0.856 338 R HN 0.489 nan 8.270 nan 0.000 0.436 339 T N 1.507 116.094 114.554 0.055 0.000 2.708 339 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 339 T C 1.665 176.378 174.700 0.022 0.000 1.037 339 T CA 1.084 63.199 62.100 0.026 0.000 1.146 339 T CB -0.212 68.666 68.868 0.017 0.000 0.865 339 T HN 0.052 nan 8.240 nan 0.000 0.435 340 L N 1.445 122.682 121.223 0.024 0.000 2.046 340 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 340 L C 2.623 179.510 176.870 0.029 0.000 1.077 340 L CA 1.888 56.735 54.840 0.011 0.000 0.747 340 L CB -1.142 40.908 42.059 -0.014 0.000 0.896 340 L HN 0.234 nan 8.230 nan 0.000 0.432 341 A N -0.631 122.228 122.820 0.065 0.000 1.908 341 A HA -0.144 4.175 4.320 -0.000 0.000 0.218 341 A C 2.356 179.950 177.584 0.018 0.000 1.181 341 A CA 1.785 53.857 52.037 0.058 0.000 0.627 341 A CB -1.598 17.440 19.000 0.063 0.000 0.818 341 A HN 0.530 nan 8.150 nan 0.000 0.445 342 G N -0.631 108.174 108.800 0.009 0.000 2.418 342 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 342 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 342 G C 1.762 176.662 174.900 0.001 0.000 1.158 342 G CA 0.905 46.004 45.100 -0.002 0.000 0.771 342 G HN 0.601 nan 8.290 nan 0.000 0.545 343 R N 0.066 120.568 120.500 0.004 0.000 2.073 343 R HA 0.016 4.356 4.340 -0.000 0.000 0.234 343 R C 2.799 179.101 176.300 0.003 0.000 1.134 343 R CA 1.200 57.302 56.100 0.002 0.000 0.952 343 R CB -0.341 29.959 30.300 0.000 0.000 0.850 343 R HN 0.256 nan 8.270 nan 0.000 0.433 344 R N 0.552 121.056 120.500 0.007 0.000 2.091 344 R HA -0.104 4.236 4.340 -0.000 0.000 0.238 344 R C 2.428 178.734 176.300 0.009 0.000 1.136 344 R CA 1.478 57.584 56.100 0.009 0.000 0.959 344 R CB -0.482 29.827 30.300 0.015 0.000 0.856 344 R HN 0.239 nan 8.270 nan 0.000 0.437 345 A N 1.238 124.062 122.820 0.007 0.000 1.902 345 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 345 A C 2.126 179.710 177.584 0.001 0.000 1.181 345 A CA 1.347 53.386 52.037 0.003 0.000 0.623 345 A CB -0.392 18.606 19.000 -0.003 0.000 0.818 345 A HN 0.224 nan 8.150 nan 0.000 0.443 346 R N -0.747 119.752 120.500 -0.000 0.000 2.081 346 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 346 R C 2.246 178.546 176.300 0.001 0.000 1.131 346 R CA 1.462 57.562 56.100 -0.001 0.000 0.960 346 R CB -0.294 30.005 30.300 -0.003 0.000 0.856 346 R HN 0.675 nan 8.270 nan 0.000 0.436 347 E N 0.190 120.391 120.200 0.003 0.000 2.118 347 E HA -0.165 4.185 4.350 -0.000 0.000 0.195 347 E C 1.549 178.153 176.600 0.006 0.000 0.992 347 E CA 1.136 57.539 56.400 0.004 0.000 0.804 347 E CB -0.009 29.694 29.700 0.005 0.000 0.741 347 E HN 0.347 nan 8.360 nan 0.000 0.458 348 A N 0.596 123.421 122.820 0.008 0.000 2.239 348 A HA 0.007 4.327 4.320 -0.000 0.000 0.209 348 A C 0.704 178.292 177.584 0.006 0.000 1.171 348 A CA 0.351 52.394 52.037 0.010 0.000 0.768 348 A CB 0.004 19.012 19.000 0.013 0.000 0.790 348 A HN 0.138 nan 8.150 nan 0.000 0.478 349 S N 0.000 115.702 115.700 0.003 0.000 2.498 349 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 349 S CA 0.000 58.201 58.200 0.001 0.000 1.107 349 S CB 0.000 63.199 63.200 -0.001 0.000 0.593 349 S HN 0.000 nan 8.310 nan 0.000 0.517